SCHEMBL12814948

SCHEMBL12814948

Cc1ccccc1CC1=CC=CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
KMT2A Q03164 2/20 0.37
CYP2A13 Q16696 1/20 0.36
HTR6 P50406 1/20 0.35
LMNA P02545 1/20 0.35
ACHE P22303 1/20 0.35
AR P10275 1/20 0.35
CHRM2 P08172 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 2/20 0.34
P2RX7 Q99572 1/20 0.34
HPGD P15428 1/20 0.34
TYMP P19971 1/20 0.34
LTA4H P09960 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12815284 0.85 ESR1 (0.36)
SCHEMBL30513708 0.84 TAAR1 (0.36) TAAR1KMT2ACYP2A13HTR6LMNA
SCHEMBL21494784 0.84 TAAR1 (0.36) TAAR1KMT2ACYP2A13HTR6LMNA
SCHEMBL18468779 0.80 HTR7 (0.34) TAAR1
SCHEMBL11066691 0.79 HSPA5 (0.54) TAAR1
SCHEMBL12944676 0.79 TAAR1 (0.43) TAAR1CYP2A13HTR6LMNAAR
SCHEMBL12946192 0.79 TAAR1 (0.43) TAAR1CYP2A13HTR6SMN1; SMN2
SCHEMBL12816153 0.78 TAAR1 (0.40) TAAR1ARALDH1A1
SCHEMBL12814675 0.78 PYCR1 (0.36) TAAR1KMT2ALMNAALDH1A1MEN1
SCHEMBL12814879 0.78 TAAR1 (0.43) TAAR1KMT2AALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691357-A1 METHOD FOR PRODUCING 1-HEXENE Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 US disclosed
WO-2012133937-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO 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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 TAAR1 794/4885KMT2A 2582/4885CYP2A13 224/4885

“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.