SCHEMBL6682969

SCHEMBL6682969

CCC(C)C(C)(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNN4 O15554 1/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2A Q12879 4/20 0.40
GRIN2D O15399 3/20 0.40
GRIN2C Q14957 3/20 0.40
GRIN2B Q13224 2/20 0.40
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.38
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
RIPK1 Q13546 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL27823460 0.90 KIF11 (0.38) KIF11CYP2D6CYP3A4TAAR1ALDH1A1
SCHEMBL27802789 0.90 CYP2C19 (0.43) KIF11CYP2D6CYP3A4TAAR1ALDH1A1
SCHEMBL28789962 0.87 MAPK1 (0.44) KIF11CYP2D6CYP3A4TAAR1ALDH1A1
SCHEMBL12869931 0.84 ESR1 (0.36) KIF11CYP2D6TAAR1ALDH1A1CYP2C19
SCHEMBL3087077 0.82 KIF11 (0.42) KIF11CYP2D6CYP3A4TAAR1ALDH1A1
SCHEMBL995710 0.82 KIF11 (0.42) KIF11CYP2D6CYP3A4TAAR1ALDH1A1
Hydrogen Peroxide SCHEMBL9456643 0.81 ALDH1A1 (0.42) KIF11CYP2D6CYP3A4TAAR1ALDH1A1
SCHEMBL28500872 0.80 CYP2D6 (0.41) CYP2D6CYP3A4TAAR1ALDH1A1CYP2C19
SCHEMBL15821748 0.80 CYP2D6 (0.41) CYP2D6CYP3A4TAAR1ALDH1A1CYP2C19
SCHEMBL4447199 0.80 CYP2D6 (0.41) CYP2D6CYP3A4TAAR1ALDH1A1CYP2C19

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867191-B1 PROCESS FOR PRODUCING CUMENE BADGER LICENSING LLC (US) 2019-09-11 EP claimed
US-9714207-B2 Method for producing aromatic compound from biomass-derived acetic acid SK INNOVATION CO., LTD. (KR) 2017-07-25 US claimed
CN-109438157-B Process for producing cumene 巴杰许可有限责任公司 2024-05-14 CN disclosed
CN-110699158-B Refrigerating machine oil, preparation method and application thereof 中国石油化工股份有限公司 2022-11-22 CN disclosed
CN-110699158-A Refrigerating machine oil, preparation method and application thereof 中国石油化工股份有限公司 2020-01-17 CN disclosed
EP-2867191-B1 PROCESS FOR PRODUCING CUMENE BADGER LICENSING LLC (US) 2019-09-11 EP disclosed
CN-109438157-A The method for producing cumene 巴杰许可有限责任公司 2019-03-08 CN disclosed
US-9850187-B2 Process for producing cumene BADGER LICENSING LLC (US) 2017-12-26 US disclosed
US-9714207-B2 Method for producing aromatic compound from biomass-derived acetic acid SK INNOVATION CO., LTD. (KR) 2017-07-25 US disclosed
US-20160221906-A1 METHOD FOR PRODUCING AROMATIC COMPOUND FROM BIOMASS-DERIVED ACETIC ACID SK INNOVATION CO., LTD. (KR) 2016-08-04 US disclosed
US-20150183695-A1 PROCESS FOR PRODUCING CUMENE BADGER LICENSING LLC (US) 2015-07-02 US disclosed
EP-2867191-A1 PROCESS FOR PRODUCING CUMENE Badger Licensing, LLC (US) 2015-05-06 EP disclosed
CN-104411662-A Process for producing cumene BADGER LICENSING LLC 2015-03-11 CN disclosed
WO-2014003732-A1 PROCESS FOR PRODUCING CUMENE BADGER LICENSING LLC (US) 2014-01-03 WO disclosed
US-20130299140-A1 Insulated thermal interface material NATIONAL TSING HUA UNIVERSITY (TW) 2013-11-14 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 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 (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-20160221906-A1 METHOD FOR PRODUCING AROMATIC COMPOUND FROM BIOMASS-DERIVED ACETIC ACID BTD, AGXT, BMX KIF11 3481/4885CYP2D6 2088/4885CYP3A4 464/4885

“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.