SCHEMBL17973667

SCHEMBL17973667

COC[C@@H]1COc2cc(C(=O)OC)ccc2CN1C(=O)C1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CNR2 P34972 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17960506 0.91 RARA (0.36) ALDH1A1MAPK1KDM4EHTTRAB9A
SCHEMBL17973665 0.91 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1CYP1A2CYP3A4
SCHEMBL17960508 0.91 RARA (0.36) ALDH1A1MAPK1KDM4EHTTRAB9A
SCHEMBL17960574 0.91 HDAC6 (0.40) ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL17960571 0.91 HDAC6 (0.40) ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL17960701 0.91 HDAC6 (0.40) ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL17973670 0.87 MAPT (0.36) ALDH1A1TSHRCYP1A2CYP3A4MEN1
SCHEMBL17973662 0.86 KDM4E (0.37) ALDH1A1TSHRMAPK1CYP1A2CYP3A4
SCHEMBL17960414 0.84 KDM4E (0.36) ALDH1A1TSHRMAPK1CYP1A2CYP3A4
SCHEMBL20931171 0.84 IDH1 (0.34) KDM4EHTTNAMPTIDH1HCRTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2024-02-06 — — US disclosed
US-20220363651-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2022-11-17 — — US disclosed
US-10988450-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-04-27 — — US disclosed
US-10464910-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-11-05 — — US disclosed
US-10464909-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-11-05 — — US disclosed
US-10457652-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-10-29 — — US disclosed
US-10442776-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-10-15 — — US disclosed
US-10421732-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-09-24 — — US disclosed
US-20190127339-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2019-05-02 — — US disclosed
US-20190119228-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2019-04-25 — — US disclosed
US-20190119229-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2019-04-25 — — US disclosed
US-20190119230-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2019-04-25 — — US disclosed
US-20190119227-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2019-04-25 — — US disclosed
WO-2016126725-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-08-11 — — WO disclosed
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-08-04 — — US disclosed
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-08-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190119228-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885TSHR 2463/4885MAPK1 3611/4885
US-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885TSHR 2463/4885MAPK1 3611/4885
US-10442776-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885TSHR 2463/4885MAPK1 3611/4885
US-10464910-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885TSHR 2463/4885MAPK1 3611/4885
US-10457652-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885TSHR 2463/4885MAPK1 3611/4885
US-20190119227-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885TSHR 2463/4885MAPK1 3611/4885
US-20190127339-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885TSHR 2463/4885MAPK1 3611/4885
US-20190119229-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885TSHR 2463/4885MAPK1 3611/4885
US-20190119230-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885TSHR 2463/4885MAPK1 3611/4885
US-10464909-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885TSHR 2463/4885MAPK1 3611/4885
US-10988450-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885TSHR 2463/4885MAPK1 3611/4885
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885TSHR 2463/4885MAPK1 3611/4885
US-20220363651-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885TSHR 2463/4885MAPK1 3611/4885
US-10421732-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALDH1A1 1918/4885TSHR 2463/4885MAPK1 3611/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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