SCHEMBL5194971

SCHEMBL5194971

CCc1ccccc1C.Cc1cccc(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.46
▸ GABRA1 P14867 2/20 0.46
▸ GABRB2 P47870 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PTGS2 P35354 2/20 0.45
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ ALOX12 P18054 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SHBG P04278 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ P2RX7 Q99572 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL10716892 0.93 TAAR1 (0.45) TAAR1GABRA1GABRB2TP53GAA
SCHEMBL29458957 0.90 — —
SCHEMBL40576 0.90 — —
SCHEMBL5489439 0.90 TAAR1 (0.54) TAAR1GABRA1GABRB2MAPTPTGS2
Dimethylamine SCHEMBL4576084 0.88 TAAR1 (0.48) TAAR1GABRA1GABRB2GAAPTGS2
Ammonia Solution, Strong SCHEMBL9453011 0.87 TAAR1 (0.52) TAAR1GABRA1GABRB2MAPTPTGS2
O-Xylene SCHEMBL9356149 0.87 TSHR (0.56) TAAR1GABRA1GABRB2MAPTPTGS2
Ammonia Solution, Strong SCHEMBL5005672 0.87 TAAR1 (0.52) TAAR1GABRA1GABRB2MAPTPTGS2
SCHEMBL31498537 0.87 TAAR1 (0.52) TAAR1GABRA1GABRB2MAPTPTGS2
SCHEMBL5157331 0.87 TAAR1 (0.52) TAAR1GABRA1GABRB2MAPTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2138231-B1 METHOD OF MODIFYING ZEOLITE CATALYST SAUDI BASIC IND CORP (SA) 2018-08-22 — — EP disclosed
CN-103934018-A Heavy aromatics processing catalyst and process of using the same EXXONMOBIL CHEM PATENTS INC 2014-07-23 — — CN disclosed
EP-1812391-A2 PROCESS OF MAKING FENTANYL INTERMEDIATES Boehringer Ingelheim Chemicals, Inc. (US) 2007-08-01 — — EP disclosed
WO-2006055321-A2 PROCESS OF MAKING FENTANYL INTERMEDIATES BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2006-05-26 — — WO disclosed
US-20060100438-A1 Process of making fentanyl intermediates BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2006-05-11 — — 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-20060100438-A1 Process of making fentanyl intermediates OPRK1, OPRD1, OPRM1 TAAR1 2135/4885GABRA1 266/4885GABRB2 223/4885

“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.

Send feedback