SCHEMBL4046233

SCHEMBL4046233

CCOC(=O)c1c[nH]cc1CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL4045529 0.87 TSHR (0.61) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL4527898 0.87 KMT2A (0.49) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL1126625 0.84 ALDH1A1 (0.49) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL970569 0.83 KMT2A (0.45) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL31742503 0.83 KMT2A (0.45) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL1156440 0.82 NR4A2 (0.41) TSHRKMT2AALDH1A1MAPTLMNA
SCHEMBL969677 0.82 TSHR (0.55) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL7439372 0.82 KMT2A (0.61) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL12466625 0.80 KMT2A (0.45) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL6162557 0.80 SMN1; SMN2 (0.62) TSHRALDH1A1MAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919904-B2 Northern-southern route to synthesis of bacteriochlorins NORTH CAROLINA STATE UNIVERSITY (US) 2021-02-16 US disclosed
US-10919904-B2 Northern-southern route to synthesis of bacteriochlorins NORTH CAROLINA STATE UNIVERSITY (US) 2021-02-16 US disclosed
US-20190256521-A1 NORTHERN-SOUTHERN ROUTE TO SYNTHESIS OF BACTERIOCHLORINS UNITED STATES DEPARTMENT OF ENERGY 2019-08-22 US disclosed
US-20190256521-A1 NORTHERN-SOUTHERN ROUTE TO SYNTHESIS OF BACTERIOCHLORINS UNITED STATES DEPARTMENT OF ENERGY 2019-08-22 US disclosed
WO-2018035281-A1 NORTHERN-SOUTHERN ROUTE TO SYNTHESIS OF BACTERIOCHLORINS NORTH CAROLINA STATE UNIVERSITY (US) 2018-02-22 WO disclosed
US-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2011-10-27 US disclosed
EP-1669071-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7112675-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US disclosed
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-06-15 US disclosed
EP-1669071-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-14 EP disclosed
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP disclosed
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 US disclosed
EP-1183033-A4 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2002-07-17 EP disclosed
EP-1183033-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-06 EP disclosed
WO-2000071129-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-30 WO 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 (5 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-20190256521-A1 NORTHERN-SOUTHERN ROUTE TO SYNTHESIS OF BACTERIOCHLORINS DLD, HCCS, PPIF TSHR 3314/4885KMT2A 3933/4885MEN1 2209/4885
US-10919904-B2 Northern-southern route to synthesis of bacteriochlorins DLD, HCCS, PPIF TSHR 3314/4885KMT2A 3933/4885MEN1 2209/4885
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 TSHR 1494/4885KMT2A 1516/4885MEN1 4062/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 TSHR 1494/4885KMT2A 1516/4885MEN1 4062/4885
US-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY VEGFA, PGF, FLT1 TSHR 1453/4885KMT2A 3738/4885MEN1 3778/4885

“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.