SCHEMBL3036082

SCHEMBL3036082

CCCCOc1ccc(-c2ccc(B(O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.58
CYP3A4 P08684 3/20 0.58
CYP19A1 P11511 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
CYP1A2 P05177 2/20 0.53
RARB P10826 4/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
LPL P06858 4/20 0.50
LIPG Q9Y5X9 4/20 0.50
LTA4H P09960 1/20 0.50
NR5A1 Q13285 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
MGLL Q99685 1/20 0.49
ENPP2 Q13822 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL2555796 0.96 RARB (0.58) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL5392482 0.95 RARB (0.60) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL3039053 0.95 RARB (0.60) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL7698504 0.95 RARB (0.60) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL1792038 0.95 RARB (0.60) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL623764 0.94 CA1 (0.57) CA1CA2LPLLIPGLTA4H
SCHEMBL9893658 0.93 LTA4H (0.50) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL1006706 0.91 NR5A1 (0.61) RARBCA1CA2LPLLIPG
SCHEMBL2401172 0.89 NR5A1 (0.65) RARBCA1CA2LPLLIPG
SCHEMBL7472946 0.89 NR5A1 (0.65) RARBCA1CA2LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107075377-B Device for regulating the passage of energy 默克专利股份有限公司 2020-08-11 CN disclosed
EP-3186334-B1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY MERCK PATENT GMBH (DE) 2019-09-25 EP disclosed
US-10370592-B2 Device for regulating the passage of energy MERCH PATENT GMBH (DE) 2019-08-06 US disclosed
US-20170267929-A1 DEVICE FOR REGULATING THE PASSAGE OF ENERGY MERCK PATENT GMBH (DE) 2017-09-21 US disclosed
EP-3186334-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY Merck Patent GmbH (DE) 2017-07-05 EP disclosed
WO-2016029996-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY MERCK PATENT GMBH (DE) 2016-03-03 WO disclosed
US-9249136-B2 3H-naphtho [2,1-B] pyrans as photochromic dichroic dyes and optical article containing them ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-02-02 US disclosed
EP-2066650-B1 3H-NAPHTHO[2,1-B]PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INT (FR) 2011-12-21 EP disclosed
US-20100202033-A1 3H-NAPHTH0 [2,1-B] PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D' OPTIQUE) (FR) 2010-08-12 US disclosed
EP-2066650-A1 3H-NAPHTH0 [2, 1-B]PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INTERNATIONAL (Compagnie Générale d'Optique) (FR) 2009-06-10 EP disclosed
WO-2008030226-A1 3H-NAPHTH0 [2, 1-B] PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2008-03-13 WO disclosed
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 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-20100202033-A1 3H-NAPHTH0 [2,1-B] PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM NR0B1, NR0B2, NR4A1 CYP2D6 559/4885CYP3A4 417/4885CYP19A1 321/4885

“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.