SCHEMBL17429649

SCHEMBL17429649

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 1/20 0.46
▸ CCR6 P51684 1/20 0.45
▸ HKDC1 Q2TB90 1/20 0.45
▸ NOTUM Q6P988 1/20 0.45
▸ CYP4A11 Q02928 4/20 0.44
▸ CYP4F2 P78329 3/20 0.43
▸ MAPK10 P53779 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39

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
SCHEMBL17386083 0.92 P4HB (0.43) P4HBCCR6HKDC1NOTUMCYP4A11
SCHEMBL17429642 0.89 CYP4A11 (0.52) P4HBCCR6HKDC1NOTUMCYP4A11
SCHEMBL17386069 0.80 HDAC1 (0.53) P4HBCYP4A11CYP4F2CA1CA2
SCHEMBL17385775 0.79 NPC1 (0.56) P4HBCCR6HKDC1NOTUMCYP4A11
SCHEMBL27594634 0.79 NOTUM (0.53) P4HBCCR6HKDC1NOTUMCYP4A11
SCHEMBL17429671 0.78 KDM4E (0.44) CCR6HKDC1NOTUMKDM4EALDH1A1
SCHEMBL21205721 0.77 NOTUM (0.51) P4HBCCR6HKDC1NOTUMCYP4A11
SCHEMBL17429703 0.77 P4HB (0.45) P4HBCCR6HKDC1NOTUMCYP4A11
SCHEMBL3577577 0.77 NOTUM (0.57) P4HBCCR6HKDC1NOTUMMAPK10
SCHEMBL17429651 0.77 CYP4A11 (0.38) CYP4A11CYP4F2KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 4077/4885CCR6 473/4885HKDC1 782/4885

“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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