SCHEMBL1041972

SCHEMBL1041972

C1=Cc2c(ccc3ccccc23)OC1.C1=Cc2c(ccc3ccccc23)OC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
CYP1A2 P05177 7/20 0.47
CYP1A1 P04798 5/20 0.47
CYP1B1 Q16678 5/20 0.47
CYP2B6 P20813 2/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL87841 1.00 CA12 (0.47) CA12CA9CYP1A2CYP1A1CYP1B1
SCHEMBL29756136 1.00 CA12 (0.47) CA12CA9CYP1A2CYP1A1CYP1B1
Biphenyl SCHEMBL27372808 0.93 CYP1A2 (0.52) CA12CA9CYP1A2CYP1A1CYP1B1
SCHEMBL372269 0.91 HPRT1 (0.47) CA12CA9CYP1A2CYP1A1CYP1B1
Phosphoric Acid SCHEMBL31540356 0.91 CA12 (0.44) CA12CA9CYP1A2CYP1A1CYP1B1
Phenol SCHEMBL28029036 0.91 CYP1A2 (0.44) CA12CA9CYP1A2CYP1A1CYP1B1
Toluene SCHEMBL8134407 0.91 CYP1A2 (0.45) CA12CA9CYP1A2CYP1A1CYP1B1
SCHEMBL3835395 0.88 MTNR1A (0.48) CA12CA9CYP1A2CYP1A1CYP1B1
SCHEMBL31391373 0.88 MTNR1A (0.48) CA12CA9CYP1A2CYP1A1CYP1B1
Benzofuran SCHEMBL8050244 0.88 CYP1A2 (0.42) CA12CA9CYP1A2CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11874434-B2 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2024-01-16 US disclosed
US-20220137262-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON & JOHNSON VISION CARE (US) 2022-05-05 US disclosed
US-11256002-B2 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2022-02-22 US disclosed
US-20200131193-A1 PYRANOQUINAZOLINE DERIVATIVES AND NAPHTHOPYRAN DERIVATIVES KANTO KAGAKU KABUSHIKI KAISHA (JP) 2020-04-30 US disclosed
EP-3633423-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS Johnson & Johnson Vision Care, Inc. (US) 2020-04-08 EP disclosed
CN-104898187-B Ophthalmic devices comprising photochromic materials having reactive substituents INNOTECH, INC., JOHNSON AND JOHNSON VISION CARE (US) 2019-12-10 CN disclosed
EP-1872159-B1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON AND JOHNSON VISION CARE INC (US) 2019-09-04 EP disclosed
US-20190129067-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON & JOHNSON VISION CARE (US) 2019-05-02 US disclosed
US-10197707-B2 Ophthalmic devices comprising photochromic materials with reactive sub substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2019-02-05 US disclosed
US-20150241601-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON & JOHNSON VISION CARE (US) 2015-08-27 US disclosed
US-9052438-B2 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2015-06-09 US disclosed
EP-2270559-A2 Ophthalmic devices comprising photochromic materials with reactive substituents Johnson and Johnson Vision Care, Inc. (US) 2011-01-05 EP disclosed
EP-1866699-B1 PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS TRANSITIONS OPTICAL INC (US) 2010-05-05 EP disclosed
US-7556750-B2 Photochromic materials with reactive substituents TRANSITIONS OPTICAL, INC. (US) 2009-07-07 US disclosed
EP-1866699-A1 PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2007-12-19 EP disclosed
WO-2006110219-A1 PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2006-10-19 WO disclosed
US-20060226401-A1 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. 2006-10-12 US disclosed
US-20060226400-A1 Photochromic materials with reactive substituents TRANSITIONS OPTICAL LIMITED (IE) 2006-10-12 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 (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-20200131193-A1 PYRANOQUINAZOLINE DERIVATIVES AND NAPHTHOPYRAN DERIVATIVES PPOX, TYR, NQO1 CA12 2734/4885CA9 2130/4885CYP1A2 86/4885

“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.