SCHEMBL175879

SCHEMBL175879

CCCCCc1ccc2[nH]c(=O)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.51
HTR2C P28335 6/20 0.51
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
MAPT P10636 2/20 0.47
GPR84 Q9NQS5 1/20 0.43
HTT P42858 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL9685780 0.95 HTR1A (0.50) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL6541577 0.89 CMA1 (0.49) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL9684901 0.89 PDE3B (0.51) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL9684200 0.84 HTR1A (0.48) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL9684052 0.84 HTR1A (0.48) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL8114295 0.84 HTR1A (0.48) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL8786271 0.84 HTR1A (0.48) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL7762986 0.84 HTR1A (0.45) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL9437757 0.84 HTR1A (0.48) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL9164783 0.83 HTR1A (0.47) HTR1AHTR2CPDE3BPDE3AMAPT

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
EP-1998741-B1 SKIN LIGHTENING AGENTS, COMPOSITIONS AND METHODS UNILEVER PLC (GB) 2012-03-07 EP disclosed
EP-1998741-A1 SKIN LIGHTENING AGENTS, COMPOSITIONS AND METHODS UNILEVER PLC (GB) 2008-12-10 EP disclosed
WO-2007112854-A1 SKIN LIGHTENING AGENTS, COMPOSITIONS AND METHODS UNILEVER PLC (GB) 2007-10-11 WO disclosed
US-20070231282-A1 SKIN LIGHTENING AGENTS, COMPOSITIONS AND METHODS CONOPCO, INC., D/B/A UNILEVER 2007-10-04 US disclosed
US-7270805-B1 Skin lightening agents, compositions and methods CONOPCO, INC. (US) 2007-09-18 US disclosed
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof PARALLEL WIRELESS, INC. 2007-03-08 US disclosed
EP-1678170-A1 USE OF A COMPOUND OF FORMULA (I) AS AN INHIBITOR OF AROMATASE FOR THERAPEUTIC PURPOSES AND COMPOUNDS OF FORMULA (1) THEREAS Yang Ji Chemical Company Ltd. (KR) 2006-07-12 EP disclosed
WO-2005033104-A1 USE OF A COMPOUND OF FORMULA (I) AS AN INHIBITOR OF AROMATASE FOR THERAPEUTIC PURPOSES AND COMPOUNDS OF FORMULA (1) THEREAS YANG JI CHEMICAL COMPANY, LTD (KR) 2005-04-14 WO disclosed
US-5240949-A Analgesics, blood lipid normalizing ADIR ET COMPAGNIE (FR) 1993-08-31 US disclosed
US-5166353-A Analgesics, anticholesterol agents, anticoagulants, antilipemic agents ADIR ET COMPAGNIE (FR) 1992-11-24 US disclosed
US-5162350-A Analgesics; nontoxic; side effect reduction ADIR ET COMPAGNIE (FR) 1992-11-10 US disclosed
US-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 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 (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-20070054899-A1 Aromatase inhibitor compounds and uses thereof CYP19A1, CYP17A1, HSD17B11 HTR1A 2080/4885HTR2C 2840/4885PDE3B 341/4885
US-20070231282-A1 SKIN LIGHTENING AGENTS, COMPOSITIONS AND METHODS CUTA, TYR, MCOLN1 HTR1A 1489/4885HTR2C 1568/4885PDE3B 1365/4885

“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.