SCHEMBL17991535

SCHEMBL17991535

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ NAMPT P43490 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ HPGD P15428 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HDAC8 Q9BY41 2/20 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
SCHEMBL17957744 0.90 HDAC6 (0.44) HPGDHDAC8HDAC6HDAC1
SCHEMBL17958061 0.90 HDAC6 (0.44) HPGDHDAC8HDAC6HDAC1
SCHEMBL17957746 0.90 HDAC6 (0.44) HPGDHDAC8HDAC6HDAC1
SCHEMBL17991528 0.89 NAMPT (0.40) ALOX15NPC1RAB9ACASP3SMN1; SMN2
SCHEMBL17957943 0.89 RARA (0.41) ALOX15HPGDALDH1A1HDAC8HDAC6
SCHEMBL17957942 0.89 RARA (0.41) ALOX15HPGDALDH1A1HDAC8HDAC6
SCHEMBL17991537 0.84 NPC1 (0.39) ALOX15NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17991505 0.83 NPC1 (0.41) ALOX15NPC1RAB9ACASP3SMN1; SMN2
SCHEMBL17973667 0.80 ALDH1A1 (0.37) ALOX15NPC1RAB9ASMN1; SMN2TP53
SCHEMBL20906803 0.80 NPC1 (0.39) ALOX15NPC1RAB9ACASP3SMN1; SMN2

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-11279681-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2022-03-22 — — US disclosed
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-20190112279-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 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
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
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 (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-10414738-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALOX15 3202/4885NPC1 1803/4885RAB9A 3532/4885
US-11279681-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALOX15 3202/4885NPC1 1803/4885RAB9A 3532/4885
US-20190112282-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALOX15 3202/4885NPC1 1803/4885RAB9A 3532/4885
US-20190112283-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALOX15 3202/4885NPC1 1803/4885RAB9A 3532/4885
US-20160221972-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALOX15 3202/4885NPC1 1803/4885RAB9A 3532/4885
US-20190112279-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALOX15 3202/4885NPC1 1803/4885RAB9A 3532/4885
US-20190112281-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALOX15 3202/4885NPC1 1803/4885RAB9A 3532/4885
US-20190112280-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALOX15 3202/4885NPC1 1803/4885RAB9A 3532/4885
US-10450283-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALOX15 3202/4885NPC1 1803/4885RAB9A 3532/4885
US-20200055830-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALOX15 3202/4885NPC1 1803/4885RAB9A 3532/4885
US-10428031-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALOX15 3202/4885NPC1 1803/4885RAB9A 3532/4885
US-20210009539-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ALOX15 3202/4885NPC1 1803/4885RAB9A 3532/4885
US-10829462-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALOX15 3202/4885NPC1 1803/4885RAB9A 3532/4885
US-10421731-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ALOX15 3202/4885NPC1 1803/4885RAB9A 3532/4885

“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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