SCHEMBL436823

SCHEMBL436823

Cc1ccc(CN=C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
C3AR1 Q16581 1/20 0.41
MIF P14174 4/20 0.39
PYCR1 P32322 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TRPA1 O75762 2/20 0.39
CTBP2 P56545 1/20 0.38
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AGXT P21549 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL260523 0.94 IDO1 (0.38) IDO1C3AR1MIFPYCR1CYP1A2
SCHEMBL21089 0.90 MIF (0.44) MIFCYP1A2TRPA1CYP3A4ALDH1A1
Toluene SCHEMBL28728282 0.89 MIF (0.47) C3AR1MIFTRPA1CTBP2ACHE
Water SCHEMBL29040332 0.87 MIF (0.43) MIFTRPA1CYP3A4ALDH1A1TSHR
SCHEMBL22471901 0.87 MIF (0.43) MIFTRPA1CYP3A4ALDH1A1TSHR
Water SCHEMBL14972874 0.87 MIF (0.43) MIFTRPA1CYP3A4ALDH1A1TSHR
SCHEMBL1456990 0.84 CYP2A6 (0.41) MIFCYP2A6TAAR1TRPA1TP53
Cyclohexane SCHEMBL28302863 0.83 MIF (0.40) MIFTRPA1CYP3A4ALDH1A1TSHR
SCHEMBL31094964 0.83 MIF (0.40) MIFTRPA1CYP3A4ALDH1A1TSHR
SCHEMBL28396661 0.83 IDO1 (0.44) IDO1C3AR1MIFPYCR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3404052-B1 ISOCYANATE COMPOSITION FOR OPTICAL LENSES AND PROCESS FOR PREPARING THE SAME SKC CO LTD (KR) 2023-10-18 EP claimed
CN-116533420-A Preparation method of near infrared barrier polyurethane lens 浙江伟星光学股份有限公司 2023-08-04 CN claimed
CN-108689883-B Isocyanate composition for optical lens and preparation method thereof SKC株式会社 2021-08-13 CN claimed
US-20210171451-A1 DIISOCYANATE COMPOSITION, PREPARATION METHOD THEREOF AND OPTICAL MATERIAL USING SAME WOORI FINE CHEM CO., LTD. (KR) 2021-06-10 US claimed
EP-3831861-A1 DIISOCYANATE COMPOSITION, PREPARATION METHOD THEREOF AND OPTICAL MATERIAL USING SAME SKC Co., Ltd. (KR) 2021-06-09 EP claimed
CN-112920373-A Diisocyanate composition, method for preparing the same, and optical material using the same SKC株式会社 2021-06-08 CN claimed
CN-112391048-A Polyurethane lens with infrared and blue light prevention function and manufacturing method thereof 上海伟星光学有限公司 2021-02-23 CN claimed
US-10703852-B2 Isocyanate composition for optical lenses and process for preparing the same SKC CO., LTD. (KR) 2020-07-07 US claimed
CN-110541162-A method for coating magnetic metal film on surface of wave-absorbing material UNIV ROCKET FORCE ENGINEERING PLA 2019-12-06 CN claimed
US-20180334531-A1 ISOCYANATE COMPOSITION FOR OPTICAL LENSES AND PROCESS FOR PREPARING THE SAME SKC CO., LTD. (KR) 2018-11-22 US claimed
EP-3404052-A1 ISOCYANATE COMPOSITION FOR OPTICAL LENSES AND PROCESS FOR PREPARING THE SAME SKC Co., Ltd. (KR) 2018-11-21 EP claimed
CN-108689883-A Isocyanate composition and preparation method thereof for optical mirror slip SKC株式会社 2018-10-23 CN claimed
US-10092881-B2 Permanent hydrophilic porous coatings and methods of making them BHA ALTAIR, LLC (US) 2018-10-09 US claimed
US-9241404-B2 Adhesive varnish, adhesive film and wiring film HITACHI METALS, LTD. (JP) 2016-01-19 US claimed
US-20090191399-A1 PERMANENT HYDROPHILIC POROUS COATINGS ONTO A SUBSTRATE AND POROUS MEMBRANES THEREOF GENERAL ELECTRIC COMPANY (US) 2009-07-30 US claimed
US-20090191398-A1 MEMBRANES COMPRISING HYDROPHILIC COATINGS GENERAL ELECTRIC COMPANY (US) 2009-07-30 US claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
EP-4680375-A1 SYSTEM AND METHOD FOR FLUID CAPTURE GE Vernova Technology GmbH (CH) 2026-01-21 EP disclosed
CN-1069986-A Improved the urethane of physical properties DOW CHEMICAL CO (US) 1993-03-17 CN disclosed
US-4138422-A UREAS AND CARBAMATES FROM ISOCYANATES ON AN INERT SOLID GRANULAR MATERIAL UNION CARBIDE CORPORATION (US) 1979-02-06 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 (2 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-10703852-B2 Isocyanate composition for optical lenses and process for preparing the same CRYZ, CRYAB, XRCC6 IDO1 219/4885C3AR1 2205/4885MIF 4765/4885
US-20210171451-A1 DIISOCYANATE COMPOSITION, PREPARATION METHOD THEREOF AND OPTICAL MATERIAL USING SAME INCENP, IK, ALKBH5 IDO1 521/4885C3AR1 1513/4885MIF 1481/4885

“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.