SCHEMBL7594495

SCHEMBL7594495

Cc1cc(C)cc(P(=O)(Cl)c2cc(C)cc(C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.35
TPMT P51580 1/20 0.35
PGK1 P00558 2/20 0.34
PGK2 P07205 2/20 0.34
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.31
CCR6 P51684 1/20 0.31
ACHE P22303 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL11548977 0.83 TSHR (0.42) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL1203845 0.77 TSHR (0.46) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL21066299 0.75 ACHE (0.48) TSHRALDH1A1MAPK1HPGDLMNA
SCHEMBL6671376 0.74 TSHR (0.44) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL15147577 0.74 TSHR (0.44) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL3353801 0.72 PGK1 (0.44) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL6551688 0.72 HPGD (0.59) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL14337805 0.72 TSHR (0.48) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL11551263 0.72 ALDH1A1 (0.36) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL28674980 0.72 TSHR (0.42) TSHRALDH1A1CYP3A4MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019181645-A1 COMPOUND, PRECURSOR TO COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL INCLUDING COMPOUND, AND ORGANIC ELECTRONIC DEVICE INCLUDING ORGANIC SEMICONDUCTOR MATERIAL 国立大学法人大阪大学 2019-09-26 WO disclosed
WO-2019181646-A1 MACROMOLECULAR COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL INCLUDING MACROMOLECULAR COMPOUND, AND ORGANIC ELECTRONIC DEVICE INCLUDING ORGANIC SEMICONDUCTOR MATERIAL 国立大学法人大阪大学 2019-09-26 WO disclosed
WO-2019078040-A1 COMPOUND, BONDED BODY OF SAME, AND ORGANIC SEMICONDUCTOR MATERIAL 国立大学法人大阪大学 2019-04-25 WO disclosed
US-7312347-B2 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-25 US disclosed
US-7312347-B2 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-25 US disclosed
US-20070073065-A1 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-29 US disclosed
US-20070073065-A1 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-29 US disclosed
EP-0850945-B1 Chiral diphosphine compound, intermediate for preparing the same, transition metal complex having the same diphosphine compound as ligand and asymmetric hydrogenation catalyst TAKASAGO PERFUMERY CO LTD (JP) 2002-11-27 EP disclosed
US-5872273-A LIGANDS FOR FORMING HYDROGENATION CATALYST COMPLEXES TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-02-16 US disclosed
EP-0850945-A1 Chiral diphosphine compound, intermediate for preparing the same, transition metal complex having the same diphosphine compound as ligand and asymmetric hydrogenation catalyst Takasago International Corporation (JP) 1998-07-01 EP 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-20070073065-A1 Substituted optically active disphosphine compound DHPS, DOHH, DHODH TSHR 4237/4885ALDH1A1 277/4885CYP3A4 374/4885

“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.