SCHEMBL6386133

SCHEMBL6386133

Cc1cccc(C2CCCC2)c1C

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.69
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
TRPA1 O75762 1/20 0.38
ATM Q13315 1/20 0.38
GRM7 Q14831 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL1128139 0.98 HTR2C (0.67) HTR2CHTR2AHTR2BLMNAGAA
SCHEMBL30603834 0.98 HTR2C (0.67) HTR2CHTR2AHTR2BLMNAGAA
SCHEMBL16956125 0.91 HTR2C (0.74) HTR2CHTR2AHTR2BHTR6TRPA1
SCHEMBL16568453 0.91 HTR2C (0.59) HTR2CHTR2AHTR2BLMNAGAA
SCHEMBL31240954 0.86 HTR2C (0.52) HTR2CHTR1AHTR7HTR6PTGS2
SCHEMBL6390262 0.84 HTR2C (0.50) HTR2CLMNAGAAALOX12HTR1A
SCHEMBL8115742 0.84 HTR2C (0.51) HTR2CHTR2AHTR2BLMNAGAA
SCHEMBL43079 0.82 HTR2C (0.67) HTR2CHTR2AHTR2BPTGS2
SCHEMBL31469392 0.82 HTR2C (0.67) HTR2CHTR2AHTR2BPTGS2
SCHEMBL4002004 0.82 HTR2C (0.62) HTR2CHTR2AHTR2BHTR6TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117945840-A Method and system for preparing mixed dicyclohexylbenzene 中国石油化工股份有限公司 2024-04-30 CN disclosed
CN-117945829-A Method and system for preparing C18 mixed aromatic hydrocarbon 中国石油化工股份有限公司 2024-04-30 CN disclosed
US-10710945-B2 Aromatic compositions and methods for obtaining them EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-07-14 US disclosed
US-20180237361-A1 Aromatic Compositions and Methods for Obtaining Them EXXONMOBIL CHEMICAL PATENTS INC. 2018-08-23 US disclosed
WO-2017052790-A1 AROMATIC COMPOSITIONS AND METHODS FOR OBTAINING THEM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-03-30 WO disclosed
US-20050215433-A1 Aromatic fluid as agricultural solvent EXXONMOBIL CHEMICAL PATENTS INC. 2005-09-29 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 (3 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-20180237361-A1 Aromatic Compositions and Methods for Obtaining Them AHR, ARNT, TDO2 HTR2C 1544/4885HTR2A 1090/4885HTR2B 861/4885
US-10710945-B2 Aromatic compositions and methods for obtaining them AHR, ARNT, TDO2 HTR2C 1544/4885HTR2A 1090/4885HTR2B 861/4885
US-20050215433-A1 Aromatic fluid as agricultural solvent DDT, AHR, ALB HTR2C 3350/4885HTR2A 3471/4885HTR2B 3510/4885

“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.