SCHEMBL4923086

SCHEMBL4923086

Cc1ccccc1Cc1ccccc1P

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.54
▸ CHRM2 P08172 1/20 0.45
▸ TSHR P16473 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ AR P10275 1/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TYMP P19971 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ CNR2 P34972 3/20 0.39
▸ GPR55 Q9Y2T6 2/20 0.39
▸ HSPA5 P11021 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ CYP2A13 Q16696 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL2090458 0.89 TAAR1 (0.56) TAAR1CHRM2TSHRACHEPTGS1
SCHEMBL21296567 0.89 HSPA5 (0.46) TAAR1HPGDHSPA5
SCHEMBL29477327 0.89 TAAR1 (0.56) TAAR1CHRM2TSHRACHEPTGS1
SCHEMBL29772212 0.87 TAAR1 (0.54) TAAR1CHRM2TSHRACHEPTGS1
SCHEMBL11200954 0.87 TAAR1 (0.54) TAAR1CHRM2TSHRACHEPTGS1
SCHEMBL8095627 0.79 LTA4H (0.53) TAAR1CHRM2TSHRACHEPTGS1
SCHEMBL6548002 0.78 TAAR1 (0.46) TAAR1TSHRACHEPTGS1PTGS2
SCHEMBL7192027 0.78 HTR2A (0.54) TAAR1TSHRP2RX7ALDH1A1KMT2A
SCHEMBL2140999 0.78 HTR2A (0.54) TAAR1TSHRP2RX7ALDH1A1KMT2A
SCHEMBL6546855 0.78 TAAR1 (0.46) TAAR1TSHRACHEARP2RX7

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
US-8471067-B2 Stereoselective preparation of P-chiral four-co-ordinated phosphorus compound (o-Tolylphenylmethylphosphine oxide) by reacting chiral alcohol, chiral amine or chiral thiol, with P-chiral three-co-ordinated phosphorus compound, in presence of electrophile UNIVERSITY COLLEGE DUBLIN (IE) 2013-06-25 — — US disclosed
WO-2012113889-A1 PROCESSES FOR THE STEREOSELECTIVE PREPARATION OF P-CHIRAL FOUR -COORDINATED PHOSPHORUS BORANE COMPOUNDS AND P-CHIRAL THREE-COORDINATED PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2012-08-30 — — WO disclosed
US-20080255391-A1 Chiral Phosphorus Compounds UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND (IE) 2008-10-16 — — US disclosed
EP-1751170-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2007-02-14 — — EP disclosed
WO-2005118603-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2005-12-15 — — 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-20080255391-A1 Chiral Phosphorus Compounds PHOSPHO1, PNKP, PTMS TAAR1 495/4885CHRM2 3708/4885TSHR 2680/4885

“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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