SCHEMBL17957952

SCHEMBL17957952

C[C@H]1COc2cc(C(=O)O)ccc2CN1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 1/20 0.42
▸ RARB P10826 1/20 0.42
▸ RARG P13631 1/20 0.42
▸ LTB4R Q15722 1/20 0.41
▸ LTB4R2 Q9NPC1 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ AKR1C3 P42330 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ AGTR2 P50052 1/20 0.39
▸ HCRTR2 O43614 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SRD5A2 P31213 1/20 0.37
▸ AKR1B1 P15121 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.35

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
SCHEMBL17957956 1.00 RARA (0.42) RARARARBRARGLTB4RLTB4R2
SCHEMBL17957748 0.89 RARA (0.40) RARARARBRARGLTB4RLTB4R2
SCHEMBL17957750 0.89 RARA (0.40) RARARARBRARGLTB4RLTB4R2
SCHEMBL17958040 0.88 HDAC6 (0.42) MEN1KMT2ASMN1; SMN2
SCHEMBL17958042 0.88 HDAC6 (0.42) MEN1KMT2ASMN1; SMN2
SCHEMBL17958081 0.88 HDAC6 (0.42) MEN1KMT2ASMN1; SMN2
SCHEMBL17991504 0.88 NPC1 (0.41) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL17958048 0.86 HCRTR2 (0.41) RARARARBRARGMEN1KMT2A
SCHEMBL17958047 0.86 HCRTR2 (0.41) RARARARBRARGMEN1KMT2A
SCHEMBL17957975 0.86 MEN1 (0.41) RARARARBRARGLTB4RLTB4R2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009539-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2021-01-14 — — US disclosed
US-10829462-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 — — US disclosed
US-20200055830-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2020-02-20 — — US disclosed
US-10450283-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-10-22 — — US disclosed
US-10428031-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-10-01 — — US disclosed
US-10421731-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-09-24 — — US disclosed
US-10414738-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-09-17 — — US disclosed
US-20190112283-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2019-04-18 — — US disclosed
US-20190112281-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2019-04-18 — — US disclosed
US-20190112280-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2019-04-18 — — US disclosed
US-20190112279-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2019-04-18 — — US disclosed
US-20190112282-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2019-04-18 — — US disclosed
WO-2016126722-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-08-11 — — WO disclosed
US-20160221972-A1 3-ALKYL 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 (13 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-10414738-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 RARA 1843/4885RARB 1910/4885RARG 1650/4885
US-20190112282-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 RARA 1843/4885RARB 1910/4885RARG 1650/4885
US-20190112283-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 RARA 1843/4885RARB 1910/4885RARG 1650/4885
US-20160221972-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 RARA 1843/4885RARB 1910/4885RARG 1650/4885
US-20190112279-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 RARA 1843/4885RARB 1910/4885RARG 1650/4885
US-20190112281-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 RARA 1843/4885RARB 1910/4885RARG 1650/4885
US-20190112280-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 RARA 1843/4885RARB 1910/4885RARG 1650/4885
US-10450283-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 RARA 1843/4885RARB 1910/4885RARG 1650/4885
US-20200055830-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 RARA 1843/4885RARB 1910/4885RARG 1650/4885
US-10428031-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 RARA 1843/4885RARB 1910/4885RARG 1650/4885
US-20210009539-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 RARA 1843/4885RARB 1910/4885RARG 1650/4885
US-10829462-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 RARA 1843/4885RARB 1910/4885RARG 1650/4885
US-10421731-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 RARA 1843/4885RARB 1910/4885RARG 1650/4885

“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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