SCHEMBL17957729

SCHEMBL17957729

COC1CCN(C(=O)N2Cc3ccc(C(=O)O)cc3OC[C@@H]2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 1/20 0.39
▸ RARB P10826 1/20 0.39
▸ RARG P13631 1/20 0.39
▸ HPGD P15428 2/20 0.37
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ AGTR2 P50052 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ F11 P03951 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ PRMT5 O14744 1/20 0.33

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
SCHEMBL17957732 1.00 RARA (0.39) RARARARBRARGHPGDTSHR
SCHEMBL17991513 0.91 ALDH1A1 (0.37) HPGDTSHRSMN1; SMN2HRH3RAB9A
SCHEMBL17957556 0.89 HDAC6 (0.39) HPGDTSHRSMN1; SMN2PRMT5
SCHEMBL17957557 0.89 HDAC6 (0.39) HPGDTSHRSMN1; SMN2PRMT5
SCHEMBL17957683 0.87 RARA (0.40) RARARARBRARGHPGDTSHR
SCHEMBL17957686 0.87 RARA (0.40) RARARARBRARGHPGDTSHR
SCHEMBL17957477 0.86 RARA (0.41) RARARARBRARGHPGDTSHR
SCHEMBL17957476 0.86 RARA (0.41) RARARARBRARGHPGDTSHR
SCHEMBL17957838 0.84 ROCK2 (0.39) HPGDTSHRSMN1; SMN2PRMT5
SCHEMBL17991515 0.82 ALDH1A1 (0.45) HPGDTSHRSMN1; SMN2RAB9ALMNA

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-20190112282-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
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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