SCHEMBL4420563

SCHEMBL4420563

O=C(c1ccc(Br)cc1)c1cccs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.69
HPGD P15428 6/20 0.68
HTT P42858 1/20 0.68
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
LMNA P02545 3/20 0.57
CYP2C9 P11712 2/20 0.57
ALDH1A1 P00352 2/20 0.57
PTGS1 P23219 2/20 0.57
PTGS2 P35354 2/20 0.57
KDM4E B2RXH2 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
TSHR P16473 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 3/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52

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
SCHEMBL6793430 0.90 HPGDS (0.83) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL7485708 0.82 HPGDS (0.71) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL8439895 0.82 HPGDS (0.78) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL158020 0.82 HPGDS (1.00) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL5591866 0.81 HPGDS (0.69) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL11306574 0.81 HPGDS (0.69) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL2074541 0.81 HPGDS (0.69) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL6326690 0.81 HPGD (1.00) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL2760408 0.81 HPGDS (0.69) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL7075260 0.81 HPGDS (0.69) HPGDSHPGDHTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2009-12-31 US disclosed
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators WYETH (US) 2008-05-22 US disclosed
US-7319152-B2 Contraception, hormone replacement therapy, cycle-related symptoms, or benign or malignant neoplastic disease; -methyl-5-(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrrole-2-carbonitrile WYETH (US) 2008-01-15 US disclosed
US-20070066628-A1 5-Aryl-indan-1-ol and analogs useful as progesterone receptor modulators WYETH (US) 2007-03-22 US disclosed
US-20070066675-A1 5-Aryl-indan-1-one and analogs useful as progesterone receptor modulators WYETH (US) 2007-03-22 US disclosed
WO-2004046141-A1 NEW TRICYCLIC ANGIOTENSIN II AGONISTS VICORE PHARMA AB (SE) 2004-06-03 WO disclosed
EP-0339599-B1 Process for producing acylaromatic compounds SUMITOMO CHEMICAL CO (JP) 1996-08-21 EP disclosed
EP-0339599-A2 Process for producing acylaromatic compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-02 EP disclosed
US-4235896-A Benzyl-phenoxy acid esters and hyperlipaemia compositions containing the same ORCHIMED S.A. (CH) 1980-11-25 US disclosed
US-4179515-A HYPOLIPEMIC, HYPOCHOLESTEROLEMIC, CHOLAGOGIC ORCHIMED S. A. (CH) 1979-12-18 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 (4 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-20070066628-A1 5-Aryl-indan-1-ol and analogs useful as progesterone receptor modulators PGR, CYP19A1, GNRHR HPGDS 319/4885HPGD 201/4885HTT 4291/4885
US-20070066675-A1 5-Aryl-indan-1-one and analogs useful as progesterone receptor modulators PGR, CYP19A1, GNRHR HPGDS 629/4885HPGD 434/4885HTT 4005/4885
US-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS CYP19A1, PGR, NR5A1 HPGDS 189/4885HPGD 108/4885HTT 4428/4885
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators CYP19A1, PGR, NR5A1 HPGDS 185/4885HPGD 103/4885HTT 4457/4885

“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.