SCHEMBL4903428

SCHEMBL4903428

COc1cccc2c3c([nH]c12)CCC(C=O)C3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.43
NQO2 P16083 1/20 0.41
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
MCL1 Q07820 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRA1B P35368 1/20 0.39
GLA P06280 1/20 0.37
CHRM2 P08172 2/20 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
SCHEMBL24408260 0.82 NR2E1 (0.56) NQO2MEN1MAPTKMT2AKDM4E
SCHEMBL4904443 0.80 HTR2C (0.47) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL11754582 0.75 GFER (0.54) ALDH1A1HPGDNQO2MEN1MAPT
SCHEMBL1876094 0.75 MTNR1A (0.65) MAPT
SCHEMBL24408259 0.74 MTNR1A (0.47) MAPT
SCHEMBL7066276 0.74 NR2E1 (0.63) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10
SCHEMBL10742855 0.72 KDM4E (0.46) ALDH1A1HPGDNQO2MEN1MAPT
SCHEMBL4904410 0.72 HTR1D (0.55) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL4903902 0.72 HTR1D (0.69) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL2244435 0.71 TAAR1 (0.61) HPGDNQO2MEN1MAPTKMT2A

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-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 US 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 (2 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-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C ALDH1A1 437/4885HPGD 778/4885NQO2 3065/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C ALDH1A1 437/4885HPGD 778/4885NQO2 3065/4885

“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.