SCHEMBL4450056

SCHEMBL4450056

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
RAPGEF4 Q8WZA2 6/20 0.50
TDP1 Q9NUW8 4/20 0.50
TP53 P04637 2/20 0.50
ACHE P22303 2/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2A6 P11509 2/20 0.45
TAAR1 Q96RJ0 1/20 0.41
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
TRPA1 O75762 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL19744496 0.94 TDP1 (0.55) ALDH1A1RAPGEF4TDP1TP53ACHE
SCHEMBL29365203 0.94
SCHEMBL1135726 0.94 TDP1 (0.55) ALDH1A1RAPGEF4TDP1TP53ACHE
SCHEMBL60541 0.94
Methane SCHEMBL28558734 0.90 TDP1 (0.52) ALDH1A1RAPGEF4TDP1TP53ACHE
SCHEMBL8117972 0.90 TDP1 (0.52) ALDH1A1RAPGEF4TDP1TP53ACHE
SCHEMBL5178966 0.90 TDP1 (0.52) ALDH1A1RAPGEF4TDP1TP53ACHE
Water SCHEMBL5175477 0.90 TDP1 (0.52) ALDH1A1RAPGEF4TDP1TP53ACHE
SCHEMBL31498554 0.90 TDP1 (0.52) ALDH1A1RAPGEF4TDP1TP53ACHE
SCHEMBL1513165 0.90 TDP1 (0.52) ALDH1A1RAPGEF4TDP1TP53ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593285-B2 Unleaded gasoline formulations including mesitylene and pseudocumene SWIFT FUELS, LLC (US) 2017-03-14 US claimed
EP-2992071-A1 UNLEADED GASOLINE FORMULATIONS INCLUDING MESITYLENE AND PSEUDOCUMENE Swift Fuels, LLC (US) 2016-03-09 EP claimed
US-20140357908-A1 UNLEADED GASOLINE FORMULATIONS INCLUDING MESITYLENE AND PSEUDOCUMENE SWIFT FUELS, LLC 2014-12-04 US claimed
WO-2014179736-A1 UNLEADED GASOLINE FORMULATIONS INCLUDING MESITYLENE AND PSEUDOCUMENE SWIFT FUELS, LLC (US) 2014-11-06 WO claimed
US-20120220511-A1 PRINTING PRESS CLEANING COMPOSITIONS EXPLORER PRESSROOM SOLUTIONS (US) 2012-08-30 US claimed
CN-109314184-B Organic semiconductor 天光材料科技股份有限公司 2023-05-05 CN disclosed
CN-114736578-A Bioelectrode composition, bioelectrode, and method for producing bioelectrode 信越化学工业株式会社 2022-07-12 CN disclosed
US-20090299111-A1 (ALKYLPHENYL) ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL) ALKYLCYCLOHEXANE OR ALKYLBIPHENYL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-12-03 US 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-20090299111-A1 (ALKYLPHENYL) ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL) ALKYLCYCLOHEXANE OR ALKYLBIPHENYL CCNA2, ACACB, PARP8 ALDH1A1 1006/4885RAPGEF4 2355/4885TDP1 3520/4885

“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.