SCHEMBL17386083

SCHEMBL17386083

COC(=O)c1ccc(CCCc2cc(C)cc(OC)c2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ HKDC1 Q2TB90 1/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ CYP4A11 Q02928 3/20 0.40
▸ CYP4F2 P78329 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MAPK10 P53779 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL17429649 0.92 P4HB (0.46) P4HBALDH1A1KDM4ECCR6HKDC1
SCHEMBL17386069 0.85 HDAC1 (0.53) P4HBCYP4A11CYP4F2CA1CA2
SCHEMBL17429642 0.83 CYP4A11 (0.52) P4HBALDH1A1KDM4ECCR6HKDC1
SCHEMBL17386038 0.81 ALDH1A1 (0.41) ALDH1A1KDM4ENOTUMCA1CA2
SCHEMBL17418052 0.79 UCHL1 (0.40) ALDH1A1CYP4A11CYP4F2CA1CA2
SCHEMBL17386226 0.79 CA1 (0.53) ALDH1A1CCR6HKDC1CYP4A11CYP4F2
SCHEMBL17385867 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EMAPT
SCHEMBL17385992 0.76 NOTUM (0.42) P4HBALDH1A1KDM4ECCR6HKDC1
SCHEMBL17385993 0.76 NOTUM (0.42) P4HBALDH1A1KDM4ECCR6HKDC1
SCHEMBL17385775 0.74 NPC1 (0.56) P4HBALDH1A1KDM4ECCR6HKDC1

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
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-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
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

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 P4HB 4077/4885ALDH1A1 2066/4885KDM4E 3682/4885

“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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