SCHEMBL4121986

SCHEMBL4121986

Nc1ccc(Cl)cc1C(O)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
ACP3 P15309 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 1/20 0.39
KEAP1 Q14145 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL15111397 0.82 ALDH1A1 (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL3255465 0.81 RECQL (0.46) ADRA2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13776051 0.78 KMT2A (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL3261755 0.78 SMN1; SMN2 (0.38) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL4117586 0.78 CYP3A4 (0.43) ALDH1A1CYP1A2CYP2C19TSHRCYP3A4
SCHEMBL31332147 0.78 ALDH1A1 (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL598905 0.78 ALDH1A1 (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL13775465 0.77 KMT2A (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL14146247 0.77 KIF11 (0.42) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL4118673 0.76 CYP3A4 (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP disclosed
US-5965553-A Squalene synthetase inhibitors PFIZER INC. (US) 1999-10-12 US disclosed
EP-0814080-A1 Squalene synthetase inhibitors PFIZER INC. (US) 1997-12-29 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR ADRA2A 2797/4885ADRA2B 3507/4885ADRA2C 2850/4885

“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.