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SCHEMBL2018471

SCHEMBL2018471

COc1cc2c(O)cc(C(=O)O)c(-c3ccccc3)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.47
▸ FABP4 P15090 1/20 0.47
▸ FABP5 Q01469 1/20 0.47
▸ KDM4E B2RXH2 6/20 0.46
▸ HPGD P15428 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ RECQL P46063 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ THRB P10828 1/20 0.45
▸ PDE10A Q9Y233 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL1010666 0.97 ACMSD (0.46) FABP3FABP4FABP5KDM4EHPGD
SCHEMBL1334120 0.89 DHODH (0.46) FABP3FABP4FABP5KDM4EHPGD
SCHEMBL30128969 0.89 DHODH (0.46) FABP3FABP4FABP5KDM4EHPGD
SCHEMBL25837371 0.87 LCK (0.45) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL6818270 0.87 ALDH1A1 (0.50) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL15763614 0.86 KDM4E (0.43) FABP3FABP4FABP5KDM4EHPGD
SCHEMBL15765703 0.86 SMN1; SMN2 (0.48) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL17733182 0.83 FABP3 (0.47) FABP3FABP4KDM4EHPGDALDH1A1
SCHEMBL15906524 0.83 FABP4 (0.39) FABP3FABP4FABP5KDM4EHPGD
SCHEMBL7813325 0.82 PDE10A (0.51) FABP3FABP4FABP5KDM4EHPGD

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104817528-A Spiropyran photochromic compound and preparation method thereof JIANGSU SHIKE PHOTOELECTRIC NEW MATERIALS CO LTD 2015-08-05 — — CN claimed
CN-111171619-B Photochromic coating and preparation method thereof 南京米兰达视光科学研究院有限公司 2021-11-30 — — CN disclosed
EP-3508554-B1 PHOTOCHROMIC OPTICAL MATERIAL AND PREPARATION METHOD THEREFOR JIANGSU SHIKEXINCAI COMPANY LTD (CN) 2021-01-20 — — EP disclosed
EP-1639058-B1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2020-10-21 — — EP disclosed
CN-107778510-B Spiropyran photochromic optical material and preparation method thereof 南京米兰达视光科学研究院有限公司 2020-10-02 — — CN disclosed
CN-107779072-B Photochromic coating liquid and application thereof 江苏视科新材料股份有限公司 2020-08-25 — — CN disclosed
CN-111171619-A Photochromic coating and preparation method thereof 南京米兰达视光科学研究院有限公司 2020-05-19 — — CN disclosed
CN-107722028-B Photochromic optical material 江苏视科新材料股份有限公司 2020-04-21 — — CN disclosed
CN-107903889-B Photochromic nano composite microsphere and application thereof 江苏视科新材料股份有限公司 2020-04-17 — — CN disclosed
CN-107722027-B Preparation method of spiropyran photochromic nano composite microspheres 江苏视科新材料股份有限公司 2020-04-14 — — CN disclosed
EP-1776436-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2007-04-25 — — EP disclosed
EP-1639058-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2006-03-29 — — EP disclosed
WO-2006022825-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2006-03-02 — — WO disclosed
US-20060022176-A1 Reaction product of a ring-opening cyclic ester or carbonate and a photochromic initiator, especially a naphtho[1,2-b]quinone with one or more hydroxy groups, e.g., (1) 3,3-di(4-methoxyphenyl)-6,7-dimethoxy-13-methyl-13-(2-(2-hydroxyethoxy)ethoxy)-3H,13H-indeno[2,1-f]naphtho[1,2-b]pyran. TRANSITIONS OPTICAL LIMITED (IE) 2006-02-02 — — US disclosed
WO-2005005570-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2005-01-20 — — WO disclosed
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL LIMITED (IE) 2005-01-06 — — US disclosed
EP-1214311-B1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2004-09-15 — — EP disclosed
EP-1214311-A1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2002-06-19 — — EP disclosed
US-6296785-B1 OPHTHALMIC AND CONTACT LENSES; WINDOWS, SAFETY GLASS FOR CARS PPG INDUSTRIES OHIO, INC. 2001-10-02 — — US disclosed
WO-2001019813-A1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-03-22 — — 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-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 CCND1, CCND3, CCND2 FABP3 2603/4885FABP4 2540/4885FABP5 1797/4885

“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.