SCHEMBL5401663

SCHEMBL5401663

c1ccc(CCPC2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL5386766 0.94 HRH3 (0.41) HRH3TAAR1OPRM1OPRD1OPRK1
SCHEMBL5391966 0.94 OPRM1 (0.44) HRH3OPRM1OPRD1OPRK1
SCHEMBL5396615 0.92 TAAR1 (0.42) HRH3ALDH1A1ALOX12SMN1; SMN2TAAR1
SCHEMBL5392743 0.92 TAAR1 (0.42) HRH3ALDH1A1ALOX12SMN1; SMN2TAAR1
SCHEMBL5397816 0.92 TAAR1 (0.42) HRH3ALDH1A1ALOX12SMN1; SMN2TAAR1
SCHEMBL5387451 0.92 TAAR1 (0.42) HRH3ALDH1A1ALOX12SMN1; SMN2TAAR1
SCHEMBL5386045 0.92 TAAR1 (0.42) HRH3ALDH1A1ALOX12SMN1; SMN2TAAR1
SCHEMBL5390764 0.92 TAAR1 (0.42) HRH3ALDH1A1ALOX12SMN1; SMN2TAAR1
SCHEMBL5380166 0.92 TAAR1 (0.42) HRH3ALDH1A1ALOX12SMN1; SMN2TAAR1
SCHEMBL5387798 0.76 TRPA1 (0.42) HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 — — US disclosed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 — — 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-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 HRH3 2574/4885ALDH1A1 4248/4885HPGD 4016/4885

“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.

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