SCHEMBL6099643

SCHEMBL6099643

[CH2]CNCc1ccc(OC)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.80
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PKM P14618 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL783785 0.89 APLNR (1.00) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL7768853 0.86 APLNR (0.86) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL12522890 0.84 APLNR (0.83) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL4437049 0.83 APLNR (0.54) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL27163106 0.83 APLNR (0.86) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL28318209 0.83 APLNR (0.80) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL19437111 0.82 APLNR (0.73) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL2108622 0.82 APLNR (0.73) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL3653243 0.82 APLNR (0.73) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL21159301 0.81 APLNR (0.83) APLNRMEN1KMT2ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US claimed
CN-1703395-A Aryl and heteroaryl compounds and methods of modulating blood coagulation TRANSTECH PHARMA INC (US) 2005-11-30 CN claimed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US claimed

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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 APLNR 1180/4885HTR2A 2196/4885HTR2C 3950/4885

“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.