SCHEMBL3287909

SCHEMBL3287909

COc1cc2c(cc1Br)Cc1cc(Br)ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.47
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 1/20 0.45
METAP1 P53582 1/20 0.41
CHEK1 O14757 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
TDP2 O95551 1/20 0.40
CYP19A1 P11511 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
PDGFRB P09619 1/20 0.36
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36

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
SCHEMBL4912147 0.81 METAP1 (0.48) PGRMETAP1MAPTTDP2CYP19A1
SCHEMBL4826135 0.79 METAP1 (0.53) PGRMETAP1MAPTTDP2CYP19A1
SCHEMBL40823 0.79 METAP1 (0.57) PGRMETAP1MAPTTDP2CYP19A1
SCHEMBL28126153 0.79 METAP1 (0.57) PGRMETAP1MAPTTDP2CYP19A1
SCHEMBL29376113 0.79 METAP1 (0.57) PGRMETAP1MAPTTDP2CYP19A1
SCHEMBL21132350 0.79 PGR (0.49) PGRHTR2AHTR2CMETAP1MAPT
SCHEMBL3129344 0.77 METAP1 (0.52) PGRHTR2AHTR2CMETAP1MAPT
SCHEMBL22028099 0.77 CYP3A4 (0.68) HTR2AHTR2CHTR2BCYP3A4MAPT
SCHEMBL29569917 0.77 METAP1 (0.52) PGRHTR2AHTR2CMETAP1MAPT
SCHEMBL28360994 0.77 METAP1 (0.52) PGRHTR2AHTR2CMETAP1MAPT

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
EP-1838682-B1 COMPOUNDS THAT ABSORB ULTRAVIOLET LIGHT, METHODS OF THEIR PREPARATION AND OPTICAL LENSES CONTAINING THEM ESSILOR INT (FR) 2013-09-25 EP disclosed
US-7713452-B2 Compounds that absorb ultraviolet light, methods of their preparation and optical lenses containing them ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2010-05-11 US disclosed
US-7713452-B2 Compounds that absorb ultraviolet light, methods of their preparation and optical lenses containing them ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2010-05-11 US disclosed
US-7713452-B2 Compounds that absorb ultraviolet light, methods of their preparation and optical lenses containing them ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2010-05-11 US disclosed
US-20080064880-A1 Compounds That Absorb Ultraviolet Light, Methods of Their Preparation and Optical Lenses Containing Them ESSILOR INTERNATIONAL COMPAGNIE GENERALE D' OPTIQUE (FR) 2008-03-13 US disclosed
US-20080064880-A1 Compounds That Absorb Ultraviolet Light, Methods of Their Preparation and Optical Lenses Containing Them ESSILOR INTERNATIONAL COMPAGNIE GENERALE D' OPTIQUE (FR) 2008-03-13 US disclosed
US-20080064880-A1 Compounds That Absorb Ultraviolet Light, Methods of Their Preparation and Optical Lenses Containing Them ESSILOR INTERNATIONAL COMPAGNIE GENERALE D' OPTIQUE (FR) 2008-03-13 US disclosed
EP-1838682-A2 COMPOUNDS THAT ABSORB ULTRAVIOLET LIGHT, METHODS OF THEIR PREPARATION AND OPTICAL LENSES CONTAINING THEM ESSILOR INTERNATIONAL Compagnie Générale d'Optique (FR) 2007-10-03 EP disclosed
WO-2006069811-A2 COMPOUNDS THAT ABSORB ULTRAVIOLET LIGHT, METHODS OF THEIR PREPARATION AND OPTICAL LENSES CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2006-07-06 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-20080064880-A1 Compounds That Absorb Ultraviolet Light, Methods of Their Preparation and Optical Lenses Containing Them CRYAB, CRYAA, CRYZ PGR 3551/4885HTR2A 4318/4885HTR2C 4614/4885

“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.