SCHEMBL4157891

SCHEMBL4157891

NCC1Cc2ccccc2CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NPY1R P25929 1/20 0.43
CASP1 P29466 1/20 0.43
NPY2R P49146 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR2A P28223 5/20 0.42
HRH1 P35367 3/20 0.42
HTR2C P28335 2/20 0.42
RET P07949 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 3/20 0.40
CYP2D6 P10635 2/20 0.40

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
SCHEMBL14077115 0.80 HTT (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19230550 0.80 HTT (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16684513 0.76 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL27931200 0.76 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9424953 0.72 PLAU (0.43) MEN1KMT2AHTR2ANPC1RAB9A
SCHEMBL718265 0.72 HRH3 (0.49) HTR2AHRH1HTR2CRETNISCH
SCHEMBL29841223 0.72 HRH3 (0.49) HTR2AHRH1HTR2CRETNISCH
Hydrochloric Acid SCHEMBL15825664 0.71 AOC2 (0.51) HTR2ANISCH
SCHEMBL502587 0.69 MAOA (0.40) HTR2AHRH1HTR2CRETSLC6A2
SCHEMBL29593942 0.69 HTR2A (0.52) HTR2AHRH1HTR2CRETSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 US disclosed
US-20090192202-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-30 US disclosed
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US disclosed
US-20070197641-A1 Androgen modulators HU LAIN-YEN 2007-08-23 US disclosed
EP-1737813-A1 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-01-03 EP disclosed
WO-2005100305-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2005-10-27 WO disclosed
US-4994486-A Neurological disorders ABBOTT LABORATORIES (US) 1991-02-19 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 (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-20070197641-A1 Androgen modulators AR, NR5A1, SHBG MEN1 4199/4885KMT2A 3146/4885ALDH1A1 1373/4885
US-20090192202-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG MEN1 4199/4885KMT2A 3146/4885ALDH1A1 1373/4885
US-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ROCK1, ROCK2, RHOA MEN1 385/4885KMT2A 2319/4885ALDH1A1 3461/4885

“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.