SCHEMBL6037086

SCHEMBL6037086

CC(C)([CH]CC(C)(C)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 1/20 0.35
KCNN4 O15554 3/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ME2 P23368 1/20 0.33
ME1 P48163 1/20 0.33
ME3 Q16798 1/20 0.33
KCNA5 P22460 1/20 0.33
P2RX7 Q99572 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
SCHEMBL10398183 0.84 TAAR1 (0.41) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL1551156 0.77 TAAR1 (0.54) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL18886107 0.76 TAAR1 (0.52) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL1125158 0.76 TAAR1 (0.52) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL1501852 0.76 TAAR1 (0.52) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL6442351 0.74 TAAR1 (0.50) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL10606675 0.74 TAAR1 (0.50) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL10382468 0.74 TAAR1 (0.50) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL7159745 0.74 TAAR1 (0.40) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL6745723 0.74 MAOB (0.46) TAAR1MAPK1CYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052587-A1 Racemoselective preparation of isolable ansa-metallocene biphenoxide complexes BASELL POLYOLEFINE GMBH (DE) 2006-03-09 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-20060052587-A1 Racemoselective preparation of isolable ansa-metallocene biphenoxide complexes ITPA, NBAS, ARSA TAAR1 3230/4885MAPK1 2085/4885CYP2C19 305/4885

“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.