SCHEMBL1903564

SCHEMBL1903564

Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2C(=O)c2ccccc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKR1C3 P42330 1/20 0.37
TSPO P30536 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
THRB P10828 1/20 0.35
RAB9A P51151 1/20 0.34
FTO Q9C0B1 1/20 0.34
TPMT P51580 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
SCHEMBL4431046 0.90 POLB (0.47) ALDH1A1POLBMAPTTP53GAA
SCHEMBL1524729 0.80 CYP3A4 (0.46) ALDH1A1POLBMAPTTP53GAA
SCHEMBL1989249 0.80 ACHE (0.41) ALDH1A1MAPTTSHRTSPOCYP3A4
Hydrochloric Acid SCHEMBL2031981 0.76 ACHE (0.38) ALDH1A1MAPTTSHRTSPOCYP3A4
Hydrochloric Acid SCHEMBL2031976 0.76 ACHE (0.38) ALDH1A1MAPTTSHRTSPOCYP3A4
SCHEMBL25060870 0.75 ALDH1A1 (0.37) ALDH1A1POLBMAPTTP53TSHR
SCHEMBL2031979 0.74 ACHE (0.36) ALDH1A1MAPTTSHRTSPOCYP3A4
SCHEMBL30477646 0.74 ACHE (0.36) ALDH1A1MAPTTP53TSHRTSPO
SCHEMBL27969723 0.72 AKR1C3 (0.53) ALDH1A1POLBMAPTGAAAKR1C3
SCHEMBL12736909 0.71 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294193-B2 Compound, and flavor composition and/or fragrance composition containing same TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-05-21 US disclosed
EP-3153492-A1 NOVEL COMPOUND AND FRAGRANCE COMPOSITION CONTAINING SAME Takasago International Corporation (JP) 2017-04-12 EP disclosed
US-20170088503-A1 NOVEL COMPOUND, AND FLAVOR COMPOSITION AND/OR FRAGRANCE COMPOSITION CONTAINING SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-03-30 US disclosed
US-8680302-B2 Method for producing alcohol compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-25 US disclosed
EP-2377841-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Takasago International Corporation (JP) 2011-10-19 EP disclosed
US-20110201819-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-08-18 US disclosed
EP-1661903-B1 NOVEL TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL WITH THE COMPLEX TAKASAGO PERFUMERY CO LTD (JP) 2011-05-11 EP disclosed
US-7569735-B2 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature TAKASAGO INTERNATIONAL (JP) 2009-08-04 US disclosed
US-7473793-B2 Transition metal (rhodium or ruthenium) complex of a bis(diaryl- or dialicyclylphosphinoaryl) compound and an optionally substituted 1,2-diphenylethylenediamine; hydrogenation catalysts for forming an assymetric alcohol from an assymetric ketone; high optical purity and high yield TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-01-06 US disclosed
US-20080228012-A1 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature TAKASAGO INTERNATIONAL CORPORATION 2008-09-18 US disclosed
EP-1970360-A1 Method for producing alcohols Takasago International Corporation (JP) 2008-09-17 EP disclosed
US-20060142603-A1 Transition metal (rhodium or ruthenium) complex of a bis(diaryl- or dialicyclylphosphinoaryl) compound and an optionally substituted 1,2-diphenylethylenediamine; hydrogenation catalysts for forming an assymetric alcohol from an assymetric ketone; high optical purity and high yield TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-06-29 US disclosed
EP-1661903-A1 NOVEL TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL WITH THE COMPLEX Takasago International Corporation (JP) 2006-05-31 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 (5 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-20110201819-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1C, ADH5, ADH1A ALDH1A1 6/4885POLB 822/4885MAPT 2883/4885
US-10294193-B2 Compound, and flavor composition and/or fragrance composition containing same FZD7, TAS1R1, TAS2R5 ALDH1A1 83/4885POLB 3613/4885MAPT 711/4885
US-20060142603-A1 Transition metal (rhodium or ruthenium) complex of a bis(diaryl- or dialicyclylphosphinoaryl) compound and an optionally substituted 1,2-diphenylethylenediamine; hydrogenation catalysts for forming an assymetric alcohol from an assymetric ketone; high optical purity and high yield ADH1A, ADH5, ADH1C ALDH1A1 76/4885POLB 2457/4885MAPT 3473/4885
US-20080228012-A1 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature LPXN, LIPE, MLX ALDH1A1 1512/4885POLB 3497/4885MAPT 4848/4885
US-20170088503-A1 NOVEL COMPOUND, AND FLAVOR COMPOSITION AND/OR FRAGRANCE COMPOSITION CONTAINING SAME FZD7, TAS2R5, TAS2R40 ALDH1A1 122/4885POLB 3895/4885MAPT 751/4885

“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.