SCHEMBL3172344

SCHEMBL3172344

[CH2]c1cc(C(C)C)cc(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ FABP3 P05413 2/20 0.36
▸ FABP4 P15090 2/20 0.36
▸ FABP5 Q01469 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HIF1A Q16665 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
SCHEMBL16961411 0.84 HTT (0.33) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL338867 0.83 GABRA1 (0.46) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL16958089 0.82 GABRA1 (0.38) GABRA1GABRB2FABP3FABP4
SCHEMBL16959242 0.82 GABRA1 (0.38) GABRA1GABRB2FABP3FABP4
SCHEMBL16951727 0.82 GABRA1 (0.31) GABRA1GABRB2FABP3FABP4ALDH1A1
SCHEMBL16959948 0.82 GABRA1 (0.38) GABRA1GABRB2FABP3FABP4
SCHEMBL23202783 0.79 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL3234036 0.79 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL23202734 0.79 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL5790729 0.79 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724168-B Chiral pyridine derived N, B ligand, preparation method and application in iridium-catalyzed asymmetric boronation reaction 西安交通大学 2021-12-28 — — CN claimed
CN-112724168-A Chiral pyridine derived N, B ligand, preparation method and application in iridium-catalyzed asymmetric boronation reaction 西安交通大学 2021-04-30 — — CN claimed
CN-108123172-A Electrolyte and secondary lithium battery 宁德时代新能源科技股份有限公司 2018-06-05 — — CN claimed
CN-107293781-A Electrolyte and lithium ion battery 宁德新能源科技有限公司 2017-10-24 — — CN claimed
CN-101143862-B Ionic compound containing chiral amine-thiourea (urea) and its preparation method and application UNIV ZHEJIANG TECHNOLOGY 2010-06-23 — — CN claimed
CN-101143862-A Ionic compound containing chiral amine-thiourea (urea) and its preparation method and application UNIV ZHEJIANG TECHNOLOGY (CN) 2008-03-19 — — CN claimed
US-6991858-B2 Blue light-emitting compound for organic electroluminescent device and organic electroluminescent device using the same SAMSUNG SDI CO., LTD. (KR) 2006-01-31 — — US claimed
CN-1626540-A Iridium compound and organic electroluminescent device using the same SAMSUNG SDI CO LTD (KR) 2005-06-15 — — CN claimed
US-20050031903-A1 Iridium compound and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2005-02-10 — — US claimed
US-20040001971-A1 Blue light-emitting compound for organic electroluminescent device and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2004-01-01 — — US claimed
EP-0642302-B1 METHOD FOR ENHANCING PLANT GROWTH BY APPLYING A COMPOUND, AND SUITABLE COMPOUNDS TROPICANA PROD INC (US) 1998-08-12 — — EP claimed
CN-115113479-A Colored resin composition, color filter and display device 住友化学株式会社 2022-09-27 — — CN disclosed
CN-114967329-A Colored resin composition, compound, color filter and display device 住友化学株式会社 2022-08-30 — — CN disclosed
CN-112724168-B Chiral pyridine derived N, B ligand, preparation method and application in iridium-catalyzed asymmetric boronation reaction 西安交通大学 2021-12-28 — — CN disclosed
CN-112724168-A Chiral pyridine derived N, B ligand, preparation method and application in iridium-catalyzed asymmetric boronation reaction 西安交通大学 2021-04-30 — — CN disclosed
US-20040001971-A1 Blue light-emitting compound for organic electroluminescent device and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2004-01-01 — — US disclosed
EP-1165528-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2002-01-02 — — EP disclosed
WO-2000058292-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2000-10-05 — — WO disclosed
CN-1047859-A Benzo cycloalkane derivatives and preparation method thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-12-19 — — CN disclosed
EP-0399422-A1 Benzocycloalkane derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1990-11-28 — — 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-20040001971-A1 Blue light-emitting compound for organic electroluminescent device and organic electroluminescent device using the same LEF1, ELP1, IK GABRA1 1275/4885GABRB2 2128/4885FABP3 4809/4885
US-20050031903-A1 Iridium compound and organic electroluminescent device using the same IK, ALPL, PPIP5K2 GABRA1 3025/4885GABRB2 3124/4885FABP3 4278/4885

“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.

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