SCHEMBL29799862

SCHEMBL29799862

O=C=NCc1ccc2cc(CN=C=O)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
CYP2A6 P11509 1/20 0.35
MIF P14174 7/20 0.34
TRPA1 O75762 2/20 0.33
PYCR1 P32322 1/20 0.33
ASIC3 Q9UHC3 1/20 0.32
PTGS1 P23219 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL636210 1.00 CYP1A2 (0.35) CYP1A2CYP3A4TSHRCYP2A6MIF
SCHEMBL31417957 0.92 CYP1A2 (0.48) CYP1A2CYP2A6PYCR1HTR2AHTR2C
SCHEMBL3722387 0.92 CYP1A2 (0.48) CYP1A2CYP2A6PYCR1HTR2AHTR2C
SCHEMBL3723399 0.90 CYP1A2 (0.42) CYP1A2CYP3A4CYP2A6PYCR1TDP1
SCHEMBL21089 0.83 MIF (0.44) CYP1A2CYP3A4TSHRMIFTRPA1
Water SCHEMBL14972874 0.80 MIF (0.43) CYP3A4TSHRMIFTRPA1ALDH1A1
Water SCHEMBL29040332 0.80 MIF (0.43) CYP3A4TSHRMIFTRPA1ALDH1A1
SCHEMBL22471901 0.80 MIF (0.43) CYP3A4TSHRMIFTRPA1ALDH1A1
SCHEMBL6437951 0.80 MIF (0.44) CYP1A2CYP3A4TSHRMIFTRPA1
SCHEMBL5465655 0.79 MIF (0.47) CYP1A2CYP3A4TSHRMIFTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008903-A1 POLYTHIOL COMPOSITION AND USE THEREOF Efirm New Material Co., Ltd. (CN) 2026-01-08 US claimed
CN-120040703-A Polythiol composition, polymerizable composition for optical product, and optical product 益丰新材料股份有限公司 2025-05-27 CN claimed
CN-116768847-B Thiol composition and application thereof in optical material 益丰新材料股份有限公司 2025-04-29 CN claimed
CN-119751795-A Polythiol composition and preparation method and application thereof 益丰新材料股份有限公司 2025-04-04 CN claimed
CN-119751323-A Preparation method of polythiol compound 益丰新材料股份有限公司 2025-04-04 CN claimed
CN-118684609-A Polythiol compound for avoiding explosion polymerization and material leakage and application thereof 益丰新材料股份有限公司 2024-09-24 CN claimed
CN-117285688-B Polythiol composition and application thereof 益丰新材料股份有限公司 2024-08-30 CN claimed
CN-117326997-A Polythiol compound, composition for optical material, and preparation method and application thereof 益丰新材料股份有限公司 2024-01-02 CN claimed
CN-117304082-A Polythiol compound for optical resin lens, optical resin lens and preparation method of optical resin lens 益丰新材料股份有限公司 2023-12-29 CN claimed
CN-117285688-A Polythiol composition and application thereof 益丰新材料股份有限公司 2023-12-26 CN claimed
CN-117186057-A Polythiol composition and application thereof 益丰新材料股份有限公司 2023-12-08 CN claimed
CN-117126594-A Optical coating composition, optical coating and photovoltaic module comprising optical coating composition 浙江福斯特新材料研究院有限公司 2023-11-28 CN claimed
CN-116768847-A Thiol composition and application thereof in optical material 益丰新材料股份有限公司 2023-09-19 CN claimed
CN-116640361-A Release agent composition and application thereof 益丰新材料股份有限公司 2023-08-25 CN claimed
CN-114790269-B Polythiol composition and application thereof 益丰新材料股份有限公司 2023-03-10 CN claimed
CN-114790269-A Polythiol composition and application thereof 益丰新材料股份有限公司 2022-07-26 CN claimed
CN-120040703-A Polythiol composition, polymerizable composition for optical product, and optical product 益丰新材料股份有限公司 2025-05-27 CN disclosed
CN-116768847-B Thiol composition and application thereof in optical material 益丰新材料股份有限公司 2025-04-29 CN disclosed
CN-115135697-A Process for producing polythioether compound 株式会社大赛璐 2022-09-30 CN disclosed
CN-114790269-A Polythiol composition and application thereof 益丰新材料股份有限公司 2022-07-26 CN 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-20260008903-A1 POLYTHIOL COMPOSITION AND USE THEREOF PARG, C5, TAF1 CYP1A2 508/4885CYP3A4 694/4885TSHR 3763/4885

“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.