SCHEMBL267746

SCHEMBL267746

COC(C)c1ccc(C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TRPA1 O75762 1/20 0.39
PTGS1 P23219 1/20 0.39
CACNA1C Q13936 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
HPGD P15428 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
AKR1C3 P42330 1/20 0.32
TUBB1 Q9H4B7 2/20 0.32
SLC2A1 P11166 1/20 0.31
PRKAB2 O43741 1/20 0.31

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
SCHEMBL8750574 0.84 LMNA (0.41) LMNATRPA1PTGS1CACNA1CTDP1
SCHEMBL12062531 0.81 SLC6A2 (0.43) ALDH1A1AKR1C2TAS1R3TAS1R1HPGD
SCHEMBL26938093 0.81 LMNA (0.41) LMNATRPA1PTGS1CACNA1CAKR1C2
SCHEMBL8282434 0.81 AKR1C2 (0.43) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL23050335 0.81 CYP3A4 (0.45) LMNATDP1ALDH1A1AKR1C2AKR1C1
SCHEMBL24589210 0.81 TDP1 (0.45) LMNATRPA1PTGS1CACNA1CTDP1
SCHEMBL8251349 0.81 CYP11B1 (0.37) LMNAAKR1C2AKR1C1TSHRCYP11B1
SCHEMBL6846328 0.79 ALDH1A1 (0.37) LMNATRPA1PTGS1CACNA1CTDP1
SCHEMBL1338710 0.77 AKR1C2 (0.42) TDP1ALDH1A1AKR1C2AKR1C1TSHR
SCHEMBL12051708 0.77 LMNA (0.36) LMNATRPA1PTGS1CACNA1CTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133869-B2 And oxidized natural lignin phenols with a low molecular weigh; disinfecting, microbicidal, root growth enhancing activity Lopretti, Mary (UY) 2012-03-13 US disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-20080220974-A1 COMPOSITIONS CONTAINING POLY[BETA(1,4)-2-AMINO-2-DEOXYGLUCOPYRANOSE] OLIGOMERS IN A SOLUTION OF MODIFIED LIGNIN PHENOLS AND THEIR USES LOPRETTI MARY 2008-09-11 US disclosed
EP-0268878-B1 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS (JP) 1996-01-31 EP disclosed
US-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 US disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 US disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 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 (2 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB LMNA 1103/4885TRPA1 4332/4885PTGS1 2962/4885
US-20080220974-A1 COMPOSITIONS CONTAINING POLY[BETA(1,4)-2-AMINO-2-DEOXYGLUCOPYRANOSE] OLIGOMERS IN A SOLUTION OF MODIFIED LIGNIN PHENOLS AND THEIR USES PGLS, PLOD1, DAO LMNA 2159/4885TRPA1 1380/4885PTGS1 789/4885

“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.