SCHEMBL102590

SCHEMBL102590

[c]1cc[c]c2cc3ccccc3cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.39
ALOX12 P18054 1/20 0.39
NQO2 P16083 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HIF1A Q16665 2/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL510183 0.95 ALDH1A1 (0.42) CYP2A6ALOX12NQO2CA1CA2
SCHEMBL510351 0.95 ALDH1A1 (0.42) CYP2A6ALOX12NQO2CA1CA2
SCHEMBL18832 0.87 ALDH1A1 (0.36) CYP2A6ALOX12NQO2CA1CA2
SCHEMBL510364 0.87 ALDH1A1 (0.39) CYP2A6ALOX12NQO2CA1CA2
SCHEMBL15366695 0.85 ALDH1A1 (0.39) CYP2A6ALOX12NQO2CA1CA2
SCHEMBL28997726 0.85 ALDH1A1 (0.39) CYP2A6ALOX12NQO2CA1CA2
SCHEMBL25147 0.85 ALDH1A1 (0.39) CYP2A6ALOX12NQO2CA1CA2
SCHEMBL28474556 0.85 ALDH1A1 (0.39) CYP2A6ALOX12NQO2CA1CA2
SCHEMBL29033245 0.85 ALDH1A1 (0.39) CYP2A6ALOX12NQO2CA1CA2
SCHEMBL17044573 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228878-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AS WELL AS LIQUID CRYSTAL DISPLAY ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION EQUIPMENT, AND ANTENNA EACH USING THE SAME DIC CORPORATION (JP) 2024-07-11 US claimed
CN-118256254-A Liquid crystal composition, liquid crystal layer, and light adjusting element DIC株式会社 2024-06-28 CN claimed
WO-2024090213-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION EQUIPMENT AND ANTENNA EACH USING SAME DIC株式会社 2024-05-02 WO claimed
US-11952525-B2 Compound, composition, liquid crystal composition, and device DIC CORPORATION (JP) 2024-04-09 US claimed
CN-112779023-B Liquid crystal compound for high-frequency device DIC株式会社 2024-03-01 CN claimed
CN-117642483-A Compound, liquid crystal composition, and liquid crystal display element, sensor, liquid crystal lens, optical communication device, and antenna using the same DIC株式会社 2024-03-01 CN claimed
WO-2024024519-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION EQUIPMENT, AND ANTENNA USING SAME DIC株式会社 2024-02-01 WO claimed
CN-116964176-A Compound, liquid crystal composition, and liquid crystal display element, sensor, liquid crystal lens, optical communication device, and antenna using same DIC株式会社 2023-10-27 CN claimed
CN-116867790-A Compound, liquid crystal composition and high-frequency phase shifter DIC株式会社 2023-10-10 CN claimed
US-20230313044-A1 COMPOUND, COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND DEVICE DIC CORPORATION (JP) 2023-10-05 US claimed
US-20050159581-A1 Method of preparing derivatives of polyarylene vinylene and method of preparing an electronic device including same LIMBURGS UNIVERSITAIR CENTRUM (BE) 2005-07-21 US claimed
EP-1548044-A2 Method of preparing derivatives of polyarylene vinylene and method of preparing an electronic device including same INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM VZW (BE) 2005-06-29 EP claimed
EP-1529794-A1 Method of preparing derivatives of polyarylene vinylene and method of preparing an electronic device including same INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM VZW (BE) 2005-05-11 EP claimed
EP-1381639-B1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS (DE) 2004-09-08 EP claimed
EP-0644217-B1 A process for producing polymers of alpha,omega-unsaturated conjugated compounds, and high molecular weight conjugated polymers thus obtainable COVION ORGANIC SEMICONDUCTORS (DE) 2004-06-09 EP claimed
EP-1196956-A2 OLIGOMERIC AND POLYMERIC OLED MATERIALS PRODUCED VIA ARYLATION OF QUINONES Honeywell International Inc. (US) 2002-04-17 EP claimed
US-20020037428-A1 Oligomeric and polymeric OLED materials produced via-arylation of quinones HONEYWELL INTERNATIONAL INC. 2002-03-28 US claimed
WO-2001078162-A2 OLIGOMERIC AND POLYMERIC OLED MATERIALS PRODUCED VIA ARYLATION OF QUINONES HONEYWELL INTERNATIONAL INC. (US) 2001-10-18 WO claimed
US-5917003-A Process for producing polymers of α,ω-unsaturated conjugated compounds, and high molecular weight conjugated polymers thus obtainable HOECHST AKTIENGESELLSCHAFT (DE) 1999-06-29 US claimed
EP-0644217-A1 A process for producing polymers of alpha,omega-unsaturated conjugated compounds, and high molecular weight conjugated polymers thus obtainable HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-22 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-11952525-B2 Compound, composition, liquid crystal composition, and device NLK, TTI2, LBR CYP2A6 4813/4885ALOX12 2342/4885NQO2 2598/4885
US-20230313044-A1 COMPOUND, COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND DEVICE NLK, TTI2, LBR CYP2A6 4813/4885ALOX12 2380/4885NQO2 2794/4885
US-20240228878-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AS WELL AS LIQUID CRYSTAL DISPLAY ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION EQUIPMENT, AND ANTENNA EACH USING THE SAME TTI2, CCT4, CCT2 CYP2A6 4709/4885ALOX12 3025/4885NQO2 1419/4885

“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.