SCHEMBL2687017

SCHEMBL2687017

Cc1cccc(C)c1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
CYP2A6 P11509 2/20 0.45
CYP1A2 P05177 1/20 0.45
ACHE P22303 3/20 0.44
TSHR P16473 2/20 0.44
TRPA1 O75762 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 4/20 0.43
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CD44 P16070 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
ELANE P08246 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL8387574 1.00 GABRA1 (0.48) GABRA1GABRB2CYP2A6CYP1A2ACHE
SCHEMBL1927917 0.84 GABRA1 (0.58) GABRA1GABRB2CYP2A6CYP1A2ACHE
SCHEMBL803441 0.82 ACHE (0.50) GABRA1GABRB2CYP2A6CYP1A2ACHE
SCHEMBL20807004 0.82 GABRA1 (0.40) GABRA1GABRB2CYP2A6CYP1A2ACHE
SCHEMBL4446455 0.82 GABRA1 (0.40) GABRA1GABRB2CYP2A6CYP1A2ACHE
SCHEMBL112587 0.82 TRPA1 (0.58) GABRA1GABRB2CYP2A6CYP1A2ACHE
SCHEMBL9607578 0.82 CD44 (0.52) GABRA1GABRB2CYP2A6CYP1A2ACHE
SCHEMBL803041 0.82 GABRA1 (0.40) GABRA1GABRB2CYP2A6CYP1A2ACHE
SCHEMBL13487572 0.82 GABRA1 (0.40) GABRA1GABRB2CYP2A6CYP1A2ACHE
SCHEMBL4446282 0.82 GABRA1 (0.40) GABRA1GABRB2CYP2A6CYP1A2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024381-A Preparation method of musk ketone 辽宁东大光明化工科技有限责任公司 2021-06-25 CN claimed
EP-2451767-B1 METHOD FOR PRODUCING (2,4-DIMETHYLBIPHENYL-3-YL) ACETIC ACIDS, ESTERS THEREOF AND INTERCONNECTIONS BAYER CROPSCIENCE AG (DE) 2019-08-21 EP claimed
CN-109400434-A A method of 5- tert-butyl meta-xylene is prepared using tubular reactor 濮阳市欧亚化工科技有限公司 2019-03-01 CN claimed
EP-1716604-B1 SOLUTIONS OF ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2017-07-26 EP claimed
CN-102471215-B Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds BAYER CROPSCIENCE AG 2014-06-11 CN claimed
US-8664428-B2 Method for producing (2,4-dimethylbiphenyl-3-yl)acetic acids, the esters thereof and intermediate compounds BAYER CROPSCIENCE AG (DE) 2014-03-04 US claimed
US-20120116118-A1 Method for Producing (2,4-Dimethylbiphenyl-3-yl)Acetic Acids, the Esters Thereof and Intermediate Compounds BAYER CROPSCIENCE AG (DE) 2012-05-10 US claimed
US-7820077-B2 Solutions of organic semiconductors MERCK PATENT GMBH (DE) 2010-10-26 US claimed
US-20070173578-A1 Solutions of organic semiconductors MERCK PATENT GMBH (DE) 2007-07-26 US claimed
EP-1716604-A1 SOLUTIONS OF ORGANIC SEMICONDUCTORS Merck Patent GmbH (DE) 2006-11-02 EP claimed
WO-2005083814-A1 SOLUTIONS OF ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2005-09-09 WO claimed
US-4255356-A Purification of tertiary amines using an adsorbent CHEMISCHE WERKE HULS AG (DE) 1981-03-10 US claimed
EP-3850680-B1 ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-11-06 EP disclosed
EP-3850679-B1 ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-10-09 EP disclosed
US-11778904-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-10-03 US disclosed
CN-116162184-A Iodonium salt photoinitiator and application thereof in preparing treatment-free CTP thermal printing plate 中国乐凯集团有限公司 2023-05-26 CN disclosed
US-4254092-A Method for separating hydrogen chloride and hydrogen bromide CHEMISCHE WERKE HULS AG (DE) 1981-03-03 US disclosed
EP-0008611-A1 Process for the recovery of gaseous hydrogen chloride from dilute aqueous hydrochloric acid CHEMISCHE WERKE HÜLS AG (DE) 1980-03-19 EP disclosed
EP-0008330-A1 Process for the separation of hydrogen chloride and hydrogen bromine CHEMISCHE WERKE HÜLS AG (DE) 1980-03-05 EP disclosed
EP-0007983-A1 Process for the purification of tertiary amines CHEMISCHE WERKE HÜLS AG (DE) 1980-02-20 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-20120116118-A1 Method for Producing (2,4-Dimethylbiphenyl-3-yl)Acetic Acids, the Esters Thereof and Intermediate Compounds DDC, DDT, PAH GABRA1 342/4885GABRB2 556/4885CYP2A6 82/4885
US-11778904-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 GABRA1 3064/4885GABRB2 2095/4885CYP2A6 619/4885

“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.