SCHEMBL11766486

SCHEMBL11766486

COc1cc(C)cc(CCO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 5/20 0.44
AKR1B1 P15121 1/20 0.44
PTGS2 P35354 1/20 0.43
CYP19A1 P11511 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
TACR1 P25103 1/20 0.42
PTPN1 P18031 2/20 0.39
NOS2 P35228 1/20 0.39
CYP3A4 P08684 1/20 0.39
DAO P14920 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38

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
SCHEMBL919408 0.87 AKR1B1 (0.55) CALM1AKR1B1PTGS2CYP19A1GABRA1
SCHEMBL10296730 0.85 PTGS2 (0.50) CALM1AKR1B1PTGS2CYP19A1GABRA1
SCHEMBL920546 0.83 AKR1B1 (0.52) CALM1AKR1B1PTGS2CYP19A1GABRA1
SCHEMBL2618040 0.83 DAO (0.44) CALM1AKR1B1PTGS2CYP19A1TACR1
SCHEMBL13369436 0.82 PTGS2 (0.49) CALM1AKR1B1PTGS2CYP19A1GABRA1
SCHEMBL24076843 0.81 CALM1 (0.64) CALM1AKR1B1PTGS2CYP19A1GABRA1
SCHEMBL13027400 0.81 CYP19A1 (0.41) CALM1AKR1B1PTGS2CYP19A1GABRA1
SCHEMBL6418650 0.80 PGK1 (0.44) ALDH1A1ACHE
SCHEMBL7429249 0.80 TDP1 (0.42) ALDH1A1
SCHEMBL15502971 0.80 TAAR1 (0.56) CYP19A1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52005724-A None JP disclosed
CN-108017603-B Tricyclic compounds and uses thereof 株式会社蒂奥姆生物 2021-07-23 CN disclosed
EP-2963027-B1 TRICYCLIC COMPOUND AND USE THEREOF TIUMBIO CO LTD (KR) 2018-12-26 EP disclosed
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 US disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 US disclosed
EP-2963027-A1 TRICYCLIC COMPOUND AND USE THEREOF SK Chemicals Co., Ltd. (KR) 2016-01-06 EP disclosed
JP-S525724-A PROCESS FOR PREPARATION OF 1,3,5-TRI-SUBSTITUTED- BENZENE DERIVATIVES NIPPON SHINYAKU CO LTD 1977-01-17 JP 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 (1 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-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF GPR65, GPR119, GPR35 CALM1 2345/4885AKR1B1 552/4885PTGS2 2011/4885

“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.