SCHEMBL3287680

SCHEMBL3287680

COc1ccc2c(c1)-c1ccccc1C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
HPGD P15428 6/20 0.56
KDM4E B2RXH2 5/20 0.56
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
TP53 P04637 1/20 0.56
CYP2D6 P10635 1/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
DRD1 P21728 8/20 0.54
DRD2 P14416 7/20 0.54
DRD5 P21918 7/20 0.54
DRD3 P35462 7/20 0.54
DRD4 P21917 5/20 0.54
METAP1 P53582 1/20 0.53

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
SCHEMBL2914928 0.92 DRD1 (0.58) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL29633762 0.92 DRD1 (0.58) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL4895916 0.90 METAP1 (0.61) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL14007350 0.88 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL10623445 0.86 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL10692678 0.84 METAP1 (0.63) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL1480944 0.82 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL6900363 0.82 DRD1 (0.74) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL4581239 0.81 METAP1 (0.63) ALDH1A1CYP3A4CYP2C9HSD17B10DRD1
SCHEMBL30777630 0.81 METAP1 (0.63) ALDH1A1CYP3A4CYP2C9HSD17B10DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3330296-B1 METHOD FOR PREPARING SUPPORTED METALLOCENE CATALYST LG CHEMICAL LTD (KR) 2020-02-19 EP disclosed
EP-3330296-A1 METHOD FOR PREPARING SUPPORTED HYBRID METALLOCENE CATALYST, AND SUPPORTED HYBRID METALLOCENE CATALYST PREPARED USING SAME LG Chem, Ltd. (KR) 2018-06-06 EP disclosed
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 ALDH1A1 1190/4885HPGD 402/4885KDM4E 805/4885

“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.