SCHEMBL7948488

SCHEMBL7948488

CCc1cccc2c(C(CCO)c3cccc(C(F)(F)F)c3)c[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.40
UBE2N P61088 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
ACP3 P15309 2/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 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
SCHEMBL1423530 0.89 ALDH1A1 (0.40) PNPUBE2NALDH1A1LMNAHTT
SCHEMBL1423438 0.83 ALDH1A1 (0.39) UBE2NALDH1A1LMNAHTTMEN1
SCHEMBL1423207 0.81 MEN1 (0.45) PNPUBE2NALDH1A1LMNAHTT
SCHEMBL7949294 0.81 ALDH1A1 (0.40) UBE2NALDH1A1LMNAHTTMEN1
SCHEMBL1423414 0.81 GAA (0.41) PNPUBE2NALDH1A1LMNAHTT
SCHEMBL7939769 0.80 GAA (0.45) PNPUBE2NALDH1A1LMNAHTT
SCHEMBL7952652 0.79 ALDH1A1 (0.45) PNPUBE2NALDH1A1LMNAHTT
SCHEMBL2161190 0.79 ALDH1A1 (0.41) UBE2NALDH1A1LMNAHTTMEN1
SCHEMBL1349866 0.78 CYP19A1 (0.34) PNPALDH1A1LMNAMEN1KMT2A
SCHEMBL2162340 0.76 ALDH1A1 (0.36) UBE2NALDH1A1LMNAHTTMEN1

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-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-28 US disclosed
US-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-28 US disclosed
WO-2009156091-A1 3-CYANOALKYL- AND 3-HYDROXYALKYLINDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-30 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 (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-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof HTR3C, HTR3A, ADRB3 PNP 2888/4885UBE2N 3462/4885ALDH1A1 813/4885

“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.