SCHEMBL3905463

SCHEMBL3905463

OC(O)c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
HTT P42858 1/20 0.40
CFTR P13569 2/20 0.39
OPRL1 P41146 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
GAA P10253 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C9 P11712 1/20 0.34
GLS O94925 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL3372946 0.86 IDO1 (0.43) IDO1TDO2HTTCFTROPRL1
SCHEMBL3375814 0.86 IDO1 (0.43) IDO1TDO2HTTCFTROPRL1
SCHEMBL5117761 0.86 IDO1 (0.43) IDO1TDO2HTTCFTROPRL1
SCHEMBL5117680 0.86 IDO1 (0.43) IDO1TDO2HTTCFTROPRL1
SCHEMBL11604556 0.86 IDO1 (0.43) IDO1TDO2HTTCFTROPRL1
SCHEMBL8038938 0.83 CFTR (0.46) IDO1TDO2HTTCFTROPRL1
SCHEMBL29930172 0.83 CFTR (0.46) IDO1TDO2HTTCFTROPRL1
SCHEMBL608330 0.81 CFTR (0.41) IDO1TDO2HTTCFTROPRL1
SCHEMBL286556 0.79 HTT (0.46) IDO1TDO2HTTCFTROPRL1
SCHEMBL1328402 0.79 HTT (0.46) IDO1TDO2HTTCFTROPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027091-A Preparation method of treprostinil and intermediate thereof 广州楷石医药有限公司 2024-05-14 CN disclosed
WO-2020186504-A1 A NEW TYPE OF ANTITUMOR COMPOUNDS: DERIVATIVES OF 7-PROPANAMIDE SUBSTITUTED BENZOXABOROLE SHANGHAI JIAO TONG UNIVERSITY (CN) 2020-09-24 WO disclosed
WO-2019153324-A1 DERIVATIVES OF 7-FATTY ACID SUBSTITUTED BENZOXABOROLE AND THEIR PREPARATION AND USE SHANGHAI JIAO TONG UNIVERSITY (CN) 2019-08-15 WO disclosed
EP-2980116-B1 HYDROPHILIC POLYMER DERIVATIVE HAVING BENZYLIDENE ACETAL LINKER NOF CORP (JP) 2017-07-26 EP disclosed
EP-3070085-A1 FLAP MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-09-21 EP disclosed
US-7550451-B2 Progesterone receptor modulators with increased antigonadotropic activity for female birth control and hormone replacement therapy BAYER SCHERING PHARMA AG (DE) 2009-06-23 US disclosed
EP-1525215-B1 PROGESTERONE RECEPTOR MODULATORS HAVING AN INCREASED ANTIGONADOTROPIC ACTIVITY FOR USE IN FEMALE FERTILITY TESTING AND HORMONE REPLACEMENT THERAPY SCHERING AG (DE) 2006-09-06 EP disclosed
EP-1525215-A1 PROGESTERONE RECEPTOR MODULATORS HAVING AN INCREASED ANTIGONADOTROPIC ACTIVITY FOR USE IN FEMALE FERTILITY TESTING AND HORMONE REPLACEMENT THERAPY Schering Aktiengesellschaft (DE) 2005-04-27 EP disclosed
US-20050026891-A1 Progesterone receptor modulators with increased antigonadotropic activity for female birth control and hormone replacement therapy BAYER SCHERING PHARMA AG (DE) 2005-02-03 US disclosed
WO-2004014935-A1 PROGESTERONE RECEPTOR MODULATORS HAVING AN INCREASED ANTIGONADOTROPIC ACTIVITY FOR USE IN FEMALE FERTILITY TESTING AND HORMONE REPLACEMENT THERAPY SCHERING AKTIENGESELLSCHAFT (DE) 2004-02-19 WO disclosed
EP-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 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-20050026891-A1 Progesterone receptor modulators with increased antigonadotropic activity for female birth control and hormone replacement therapy LHCGR, PGR, GNRHR IDO1 3271/4885TDO2 1335/4885HTT 1682/4885

“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.