SCHEMBL18580944

SCHEMBL18580944

COc1ccc(CN2C(=O)C(C)Oc3ccc(C(=O)O)cc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GSK3B P49841 1/20 0.45
ADK P55263 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CMA1 P23946 1/20 0.43

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
SCHEMBL18580942 1.00 TSHR (0.48) TSHRALDH1A1GSK3BADKKDM4E
SCHEMBL18581192 1.00 TSHR (0.48) TSHRALDH1A1GSK3BADKKDM4E
SCHEMBL18581480 0.90 TSHR (0.47) TSHRALDH1A1GSK3BADKKDM4E
SCHEMBL29790668 0.90 TSHR (0.47) TSHRALDH1A1GSK3BADKKDM4E
SCHEMBL18593278 0.90 TSHR (0.47) TSHRALDH1A1GSK3BADKKDM4E
SCHEMBL18593279 0.90 TSHR (0.47) TSHRALDH1A1GSK3BADKKDM4E
SCHEMBL29790788 0.90 TSHR (0.47) TSHRALDH1A1GSK3BADKKDM4E
SCHEMBL20580653 0.89 MEN1 (0.55) TSHRALDH1A1NPSR1L3MBTL1MEN1
SCHEMBL18581476 0.89 HDAC6 (0.52) TSHRALDH1A1HDAC6
SCHEMBL18581320 0.89 HDAC6 (0.52) TSHRALDH1A1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2023-12-21 US disclosed
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 US disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 US disclosed
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2019-10-10 US disclosed
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-06 US disclosed
US-20180354919-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2018-12-13 US disclosed
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 US disclosed
WO-2017040963-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-03-09 WO 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 (8 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-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 TSHR 2168/4885ALDH1A1 1338/4885GSK3B 296/4885
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 TSHR 2168/4885ALDH1A1 1338/4885GSK3B 296/4885
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 TSHR 2168/4885ALDH1A1 1338/4885GSK3B 296/4885
US-20180354919-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 TSHR 2168/4885ALDH1A1 1338/4885GSK3B 296/4885
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 TSHR 2168/4885ALDH1A1 1338/4885GSK3B 296/4885
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 TSHR 2168/4885ALDH1A1 1338/4885GSK3B 296/4885
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC1, HDAC2 TSHR 2151/4885ALDH1A1 1573/4885GSK3B 1070/4885
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 TSHR 2168/4885ALDH1A1 1338/4885GSK3B 296/4885

“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.