SCHEMBL459299

SCHEMBL459299

CCc1ccc(CN=C=O)cc1CN=C=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
MIF P14174 2/20 0.33
DHFR P00374 1/20 0.33
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
PYCR1 P32322 1/20 0.30

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
SCHEMBL29386564 1.00 GABRA1 (0.36) GABRA1GABRB2MIFDHFRBACE1
SCHEMBL11716213 0.90 MIF (0.36) MIFCYP3A4TSHR
SCHEMBL28180408 0.89 GABRA1 (0.36) GABRA1GABRB2BACE1ALDH1A1MAPT
SCHEMBL31522190 0.84 CYP3A4 (0.33) MIFCYP3A4TSHR
SCHEMBL29387408 0.83 CYP3A4 (0.35) MIFCYP3A4TSHR
SCHEMBL11159589 0.83 MIF (0.34) MIFCYP3A4TSHRPYCR1
SCHEMBL460468 0.83 CYP3A4 (0.35) MIFCYP3A4TSHR
SCHEMBL10942462 0.81 GABRA1 (0.41) GABRA1GABRB2MIFALDH1A1CYP3A4
SCHEMBL10965734 0.79 CYP3A4 (0.47) GABRA1GABRB2CYP3A4TSHR
SCHEMBL21569375 0.79 PYCR1 (0.36) GABRA1GABRB2ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4775733-A POLYTHIOURETHANES MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-10-04 US claimed
EP-4731688-A1 METHOD FOR THE PRODUCTION OF A HYDROXYL-GROUP TERMINATED OXAZOLIDINONE COMPOSITION Covestro Deutschland AG (DE) 2026-04-29 EP disclosed
US-20260071091-A1 SELF-HEALING TRANSPARENT COATING COMPOSITION USING SUNLIGHT AND APPLICATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2026-03-12 US disclosed
US-12559586-B2 Compositions containing uretdione groups crosslinking at low temperatures COVESTRO DEUTSCHLAND AG (DE) 2026-02-24 US disclosed
EP-4688893-A1 EPOXY-GROUP TERMINATED AND ISOCYANURATE-GROUP CONTAINING POLYOXAZOLIDINONES AND THEIR USE IN COATING COMPOSITIONS Covestro Deutschland AG (DE) 2026-02-11 EP disclosed
US-12503575-B2 Fine hollow particles comprising melamine-based resin KAGOSHIMA UNIVERSITY (JP) 2025-12-23 US disclosed
WO-2025224257-A1 SINGLE-COMPONENT COATING MATERIAL FOR FOOD CONTAINERS COVESTRO DEUTSCHLAND AG (DE) 2025-10-30 WO disclosed
EP-4640732-A1 ONE-COMPONENT SYSTEM FOR COATINGS Covestro Deutschland AG (DE) 2025-10-29 EP disclosed
EP-4640731-A1 ONE-COMPONENT COATING COMPOSITION FOR FOOD CONTAINERS Covestro Deutschland AG (DE) 2025-10-29 EP disclosed
EP-4357382-B1 IONICALLY MODIFIED POLYISOCYANATE MIXTURE COVESTRO DEUTSCHLAND AG (DE) 2025-07-23 EP disclosed
US-5652321-A Composition for optical materials and use thereof MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-29 US disclosed
EP-0713105-A2 Composition for optical materials and use thereof MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-05-22 EP disclosed
EP-0390218-B1 Anti-reflection optical element HOYA CORP (JP) 1995-08-09 EP disclosed
US-5306799-A High refractive index plastic lens and composition therefor MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-26 US disclosed
EP-0586091-A2 High refractive index plastic lens and composition therefor MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-03-09 EP disclosed
US-5181141-A Good mechanical and chemical properties HOYA CORPORATION (JP) 1993-01-19 US disclosed
EP-0390218-A2 Anti-reflection optical element HOYA CORPORATION (JP) 1990-10-03 EP disclosed
EP-0235743-B1 HIGH-REFRACTIVITY PLASTIC LENS RESIN MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-01-31 EP disclosed
US-4775733-A POLYTHIOURETHANES MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-10-04 US disclosed
EP-0235743-A1 High-refractivity plastic lens resin MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-09-09 EP 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-12559586-B2 Compositions containing uretdione groups crosslinking at low temperatures URB2, UQCRB, UQCRC2 GABRA1 2749/4885GABRB2 1935/4885MIF 4002/4885
US-20260071091-A1 SELF-HEALING TRANSPARENT COATING COMPOSITION USING SUNLIGHT AND APPLICATION THEREOF PCNA, CUTA, COL1A1 GABRA1 4146/4885GABRB2 4501/4885MIF 374/4885

“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.