SCHEMBL3196473

SCHEMBL3196473

C=CCOC1CCCCC1O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.38
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
NPY4R P50391 1/20 0.32
NPY5R Q15761 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL5974111 0.98 GSR (0.40) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL5973186 0.96 GSR (0.34) GSRALDH1A1
SCHEMBL789501 0.96 GSR (0.34) GSRALDH1A1
SCHEMBL787013 0.96 GSR (0.34) GSRALDH1A1
SCHEMBL18587049 0.96 GSR (0.34) GSRALDH1A1
SCHEMBL18587048 0.96 GSR (0.34) GSRALDH1A1
SCHEMBL19911651 0.96 GSR (0.34) GSRALDH1A1
SCHEMBL789664 0.87
SCHEMBL789543 0.87
SCHEMBL18094441 0.84 ALDH1A1 (0.33) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7670613-B2 Androgen modulators PFIZER INC. (US) 2010-03-02 US disclosed
US-20100048517-A1 ANDROGEN MODULATORS PFIZER INC 2010-02-25 US disclosed
EP-1781598-A1 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-05-09 EP disclosed
EP-0957079-B1 ETHER COMPOUNDS AND PROCESS FOR PRODUCING THE SAME SHOWA DENKO KK (JP) 2006-12-27 EP disclosed
WO-2006006065-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2006-01-19 WO disclosed
US-20060009427-A1 4-(2-Cyano-cyclohexyloxy)-2-trifluoromethyl-benzonitrlle, a salt, or an isomer;selective androgen receptor modulators; decrease excess sebum secretions; stimulafnts of hair growth at higher rates of cosmetically acceptable hair growth in patients with alopecia; acne; skin disorders; prostate cancer WARNER-LAMBERT COMPANY LLC 2006-01-12 US disclosed
US-6376702-B1 A 1-ALKENYL ETHER SHOWA DENKO K.K. (JP) 2002-04-23 US disclosed
US-6204410-B1 FOR FREE RADICAL POLYMERIZATION SHOWA DENKO KABUSHIKI KAISHA (JP) 2001-03-20 US disclosed
EP-0957079-A1 NEW ETHER COMPOUNDS AND PROCESS FOR PRODUCING THE SAME Showa Denko Kabushiki Kaisha (JP) 1999-11-17 EP 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-20100048517-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG GSR 2232/4885NPY1R 312/4885NPY2R 194/4885
US-20060009427-A1 4-(2-Cyano-cyclohexyloxy)-2-trifluoromethyl-benzonitrlle, a salt, or an isomer;selective androgen receptor modulators; decrease excess sebum secretions; stimulafnts of hair growth at higher rates of cosmetically acceptable hair growth in patients with alopecia; acne; skin disorders; prostate cancer AR, FSHR, MC1R GSR 3373/4885NPY1R 151/4885NPY2R 66/4885

“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.