SCHEMBL3915058

SCHEMBL3915058

N#Cc1ccc(OCCCO)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
NSD2 O96028 1/20 0.47
NSD3 Q9BZ95 1/20 0.47
AR P10275 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
TRPV4 Q9HBA0 3/20 0.43
SLC22A12 Q96S37 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
MAOB P27338 1/20 0.40
NR3C2 P08235 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3915224 0.95 MRGPRX4 (0.52) CYP11B1CYP11B2MRGPRX4NSD2NSD3
SCHEMBL3918849 0.94 MRGPRX4 (0.51) CYP11B1CYP11B2MRGPRX4NSD2NSD3
SCHEMBL13223331 0.85 CYP11B1 (0.51) CYP11B1CYP11B2MRGPRX4NSD2NSD3
SCHEMBL28746886 0.85 MAOB (0.54) CYP11B1CYP11B2NSD2NSD3TP53
SCHEMBL4741497 0.84 CYP11B2 (0.50) CYP11B1CYP11B2MRGPRX4NSD2NSD3
SCHEMBL6245912 0.83 MRGPRX4 (0.52) CYP11B1CYP11B2MRGPRX4NSD2NSD3
SCHEMBL5992707 0.82 MRGPRX4 (0.42) CYP11B1CYP11B2MRGPRX4NSD2NSD3
SCHEMBL30580547 0.82 AR (0.50) CYP11B1CYP11B2MRGPRX4NSD2NSD3
SCHEMBL3919607 0.82 CYP11B1 (0.44) CYP11B1CYP11B2MRGPRX4NSD2NSD3
SCHEMBL11037750 0.81 ALDH1A1 (0.50) CYP11B1CYP11B2MRGPRX4NSD2NSD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100475781-C Androgen receptor modulators WARNER LAMBERT CO (US) 2009-04-08 CN claimed
CN-1918113-A Androgen receptor modulators WARNER LAMBERT CO (US) 2007-02-21 CN claimed
EP-1716110-A1 ANDROGEN RECEPTOR MODULATORS Warner-Lambert Company LLC (US) 2006-11-02 EP claimed
WO-2005080320-A1 ANDROGEN RECEPTOR MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2005-09-01 WO claimed
US-20050182132-A1 4-oxy-benzonitriles e.g. (1S,4S)-4-(4-Hydroxy-1-methylpentyloxy)-2-trifluoromethylbenzonitrile; acne, alopecia, and oily skin; early puberty, premenstrual syndrome, lung cancer, osteoporosis, hypogonadism, age-related muscle mass decline, hormone-dependent cancer HU LAIN-YEN (US) 2005-08-18 US claimed
US-7576128-B2 Androgen receptor modulators PFIZER INC. (US) 2009-08-18 US disclosed
US-7576128-B2 Androgen receptor modulators PFIZER INC. (US) 2009-08-18 US disclosed
US-7576128-B2 Androgen receptor modulators PFIZER INC. (US) 2009-08-18 US disclosed
CN-100475781-C Androgen receptor modulators WARNER LAMBERT CO (US) 2009-04-08 CN disclosed
CN-1918113-A Androgen receptor modulators WARNER LAMBERT CO (US) 2007-02-21 CN disclosed
EP-1716110-A1 ANDROGEN RECEPTOR MODULATORS Warner-Lambert Company LLC (US) 2006-11-02 EP disclosed
WO-2005080320-A1 ANDROGEN RECEPTOR MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2005-09-01 WO disclosed
US-20050182132-A1 4-oxy-benzonitriles e.g. (1S,4S)-4-(4-Hydroxy-1-methylpentyloxy)-2-trifluoromethylbenzonitrile; acne, alopecia, and oily skin; early puberty, premenstrual syndrome, lung cancer, osteoporosis, hypogonadism, age-related muscle mass decline, hormone-dependent cancer HU LAIN-YEN (US) 2005-08-18 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 (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-20050182132-A1 4-oxy-benzonitriles e.g. (1S,4S)-4-(4-Hydroxy-1-methylpentyloxy)-2-trifluoromethylbenzonitrile; acne, alopecia, and oily skin; early puberty, premenstrual syndrome, lung cancer, osteoporosis, hypogonadism, age-related muscle mass decline, hormone-dependent cancer NR5A1, AR, SHBG CYP11B1 29/4885CYP11B2 76/4885MRGPRX4 1211/4885

“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.