SCHEMBL2038658

SCHEMBL2038658

COCCn1cc(C(=O)O)c2cccc(C)c21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TPSAB1 Q15661 1/20 0.50
MAPT P10636 1/20 0.48
CNR1 P21554 5/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CNR2 P34972 6/20 0.46
HRH2 P25021 1/20 0.45
PTGER4 P35408 1/20 0.44
NR2F2 P24468 1/20 0.43
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2034334 0.86 ALDH1A1 (0.51) ALDH1A1TPSAB1MAPTCNR1MEN1
SCHEMBL2042835 0.85 CNR1 (0.46) ALDH1A1MAPTCNR1MEN1KMT2A
SCHEMBL1983582 0.85 CNR2 (0.49) ALDH1A1TPSAB1MAPTCNR1MEN1
SCHEMBL2052293 0.85 TPSAB1 (0.54) TPSAB1CNR1CNR2TP53
SCHEMBL2036403 0.85 ALDH1A1 (0.50) ALDH1A1TPSAB1MAPTCNR1MEN1
SCHEMBL2035737 0.85 ALDH1A1 (0.48) ALDH1A1TPSAB1MAPTCNR1MEN1
SCHEMBL23809280 0.83 CNR1 (0.45) ALDH1A1MAPTCNR1MEN1KMT2A
SCHEMBL2038034 0.82 ALDH1A1 (0.46) ALDH1A1TPSAB1MAPTCNR1MEN1
SCHEMBL2035808 0.82 CNR1 (0.44) ALDH1A1TPSAB1MAPTCNR1MEN1
SCHEMBL2036074 0.82 P2RX7 (0.47) ALDH1A1TPSAB1MAPTCNR1MEN1

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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120238600-A1 TROPINONE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-20 US disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 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 (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-20120238600-A1 TROPINONE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 ALDH1A1 202/4885TPSAB1 1/4885MAPT 1286/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 ALDH1A1 2556/4885TPSAB1 3956/4885MAPT 2996/4885
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 ALDH1A1 752/4885TPSAB1 1/4885MAPT 2406/4885

“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.