SCHEMBL4529606

SCHEMBL4529606

COC(=O)c1ccc(C(=O)c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.79
CYP3A4 P08684 2/20 0.79
CYP2C9 P11712 2/20 0.79
CYP2C19 P33261 2/20 0.79
TSHR P16473 1/20 0.79
ALDH1A1 P00352 4/20 0.72
GAA P10253 1/20 0.72
MAPT P10636 6/20 0.70
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
LMNA P02545 2/20 0.61
ATM Q13315 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA7 P43166 1/20 0.59
TPMT P51580 1/20 0.59

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
SCHEMBL9364577 0.91 CYP1A2 (0.96) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
Veratric Acid Methyl Ester SCHEMBL2050732 0.89 MAPT (0.86) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
Veratric Acid Methyl Ester SCHEMBL29573244 0.89 MAPT (0.86) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL1493250 0.89 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL10421110 0.86 SLC22A6 (0.80) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL3468486 0.85 LMNA (0.63) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL2269669 0.85 ALDH1A1 (0.81) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL1333620 0.84 CYP1A2 (0.81) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL6872165 0.84 TSHR (0.81) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL4818731 0.84 ALDH1A1 (1.00) CYP1A2CYP3A4CYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176995-A1 Soluble fullerene derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2009-07-09 US disclosed
US-20090176995-A1 Soluble fullerene derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2009-07-09 US disclosed
US-20090176995-A1 Soluble fullerene derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2009-07-09 US disclosed
US-6812231-B2 INHIBITING ACTIVATED BLOOD-COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-02 US disclosed
US-20020107290-A1 Benzamidine derivative AJINOMOTO CO., INC. (JP) 2002-08-08 US disclosed
US-6410538-B2 ANTICOAGULANT OR AN AGENT FOR TREATING OR PREVENTING THROMBI OR EMBOLI AJINOMOTO CO., INC. (JP) 2002-06-25 US disclosed
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli AJINOMOTO CO., INC (JP) 2001-12-27 US disclosed
EP-1086946-A1 BENZAMIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2001-03-28 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 (3 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-20090176995-A1 Soluble fullerene derivatives SOD1, EPCAM, NDUFV2 CYP1A2 528/4885CYP3A4 878/4885CYP2C9 1161/4885
US-20020107290-A1 Benzamidine derivative SERPINE1, SERPINC1, TFPI CYP1A2 776/4885CYP3A4 299/4885CYP2C9 203/4885
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli SERPINC1, SERPINE1, F2 CYP1A2 881/4885CYP3A4 746/4885CYP2C9 388/4885

“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.