SCHEMBL4701345

SCHEMBL4701345

Cc1cc(C)c(C)c(C)c1.Cc1ccc(C)c(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 11/20 0.48
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
ACHE P22303 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL10659964 1.00 RAPGEF4 (0.48) RAPGEF4CYP1A2CYP2A6TDP1TP53
Hexamethylbenzene SCHEMBL9614359 0.94 RAPGEF4 (0.43) RAPGEF4CYP1A2CYP2A6TDP1TP53
SCHEMBL28951 0.87 RAPGEF4 (0.59) RAPGEF4CYP1A2CYP2A6ALDH1A1ACHE
SCHEMBL1551822 0.87 RAPGEF4 (0.59) RAPGEF4CYP1A2CYP2A6ALDH1A1ACHE
SCHEMBL28482658 0.83 RAPGEF4 (0.56) RAPGEF4CYP1A2CYP2A6ALDH1A1ACHE
SCHEMBL10412763 0.83 RAPGEF4 (0.56) RAPGEF4CYP1A2CYP2A6ALDH1A1ACHE
SCHEMBL5180888 0.83 RAPGEF4 (0.56) RAPGEF4CYP1A2CYP2A6ALDH1A1ACHE
SCHEMBL6255294 0.80 RAPGEF4 (0.53) RAPGEF4CYP1A2CYP2A6ALDH1A1ACHE
SCHEMBL4078654 0.80 TSHR (0.38) CYP1A2CYP2A6TDP1ALDH1A1ACHE
SCHEMBL5494672 0.79 TSHR (0.45) CYP1A2CYP2A6TDP1ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040069-A1 SEPARATING AROMATIC ISOMERS USING AQUEOUS SOLUTIONS OF CUCURBITURIL MACROCYCLES UNIV KING ABDULLAH SCI & TECH (SA) 2023-02-09 US claimed
WO-2021124219-A1 SEPARATING AROMATIC ISOMERS USING AQUEOUS SOLUTIONS OF CUCURBITURIL MACROCYCLES KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2021-06-24 WO claimed
US-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds SHELL OIL COMPANY 2001-11-08 US claimed
US-4255356-A Purification of tertiary amines using an adsorbent CHEMISCHE WERKE HULS AG (DE) 1981-03-10 US claimed
US-20230040069-A1 SEPARATING AROMATIC ISOMERS USING AQUEOUS SOLUTIONS OF CUCURBITURIL MACROCYCLES UNIV KING ABDULLAH SCI & TECH (SA) 2023-02-09 US disclosed
WO-2021124219-A1 SEPARATING AROMATIC ISOMERS USING AQUEOUS SOLUTIONS OF CUCURBITURIL MACROCYCLES KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2021-06-24 WO disclosed
EP-1500659-B1 Selective, catalytic, thermal functionalization of secondary or aromatic C-H bonds in cyclic hydrocarbons SHELL INT RESEARCH (NL) 2008-09-24 EP disclosed
EP-1500659-A1 Selective, catalytic, thermal functionalization of secondary or aromatic C-H bonds in cyclic hydrocarbons SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2005-01-26 EP disclosed
EP-1268490-B1 SELECTIVE, CATALYTIC, THERMAL FUNCTIONALIZATION OF SECONDARY OR AROMATIC C-H BONDS IN CYCLIC HYDROCARBONS SHELL INT RESEARCH (NL) 2005-01-26 EP disclosed
US-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds SHELL OIL COMPANY 2001-11-08 US disclosed
EP-0200360-B1 PROCESS FOR THE SEPARATION OF C10 AROMATIC ISOMERS EXXON CHEMICAL PATENTS INC. (US) 1989-02-22 EP disclosed
US-4743708-A ZEOLITE ADSORPTION EXXON CHEMICAL PATENTS INC. (US) 1988-05-10 US disclosed
EP-0200360-A1 Process for the separation of C10 aromatic isomers EXXON CHEMICAL PATENTS INC. (US) 1986-11-05 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-20230040069-A1 SEPARATING AROMATIC ISOMERS USING AQUEOUS SOLUTIONS OF CUCURBITURIL MACROCYCLES AHR, AAAS, HARS1 RAPGEF4 3800/4885CYP1A2 419/4885CYP2A6 1886/4885
US-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds AHR, PAH, HRH3 RAPGEF4 4250/4885CYP1A2 87/4885CYP2A6 284/4885

“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.