SCHEMBL12885335

SCHEMBL12885335

CN(C)Cc1ccc(-c2ccc([PH](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.71
▸ HRH3 Q9Y5N1 6/20 0.63
▸ ALDH1A1 P00352 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ PYCR1 P32322 1/20 0.45
▸ NAAA Q02083 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ TNKS O95271 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ BRD9 Q9H8M2 1/20 0.40
▸ TTK P33981 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ INCENP Q9NQS7 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ AOC3 Q16853 1/20 0.39
▸ LSS P48449 1/20 0.38

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
SCHEMBL5915632 0.84 TAAR1 (1.00) TAAR1HRH3ALDH1A1TSHRPYCR1
SCHEMBL12679031 0.79 HRH3 (1.00) TAAR1HRH3ALDH1A1TSHRPYCR1
SCHEMBL11057086 0.75 ALDH1A1 (0.53) TAAR1ALDH1A1TSHR
SCHEMBL15889318 0.75 ALDH1A1 (0.53) TAAR1ALDH1A1TSHR
SCHEMBL15889317 0.75 ALDH1A1 (0.53) TAAR1ALDH1A1TSHR
SCHEMBL24735547 0.75 TSHR (1.00) TAAR1HRH3ALDH1A1TSHRPYCR1
SCHEMBL5014268 0.75 TSHR (1.00) TAAR1HRH3ALDH1A1TSHRPYCR1
SCHEMBL27766437 0.75 TSHR (1.00) TAAR1HRH3ALDH1A1TSHRPYCR1
SCHEMBL15900 0.75 TSHR (1.00) TAAR1HRH3ALDH1A1TSHRPYCR1
SCHEMBL12885310 0.75 TSHR (0.52) TAAR1TSHRHDAC2

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-7880037-B2 Phosphonium supported triphenylphosphine; for controlling solubility of a molecule; oxidation of Cinnamyl Alcohol using above catalyst system VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-02-01 — — US disclosed
US-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES VALORISATION-RECHERECHE (CA) 2007-08-23 — — 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-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES PI4K2A, PIP4K2A, PI4K2B TAAR1 2882/4885HRH3 4195/4885ALDH1A1 3806/4885

“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