SCHEMBL69546

SCHEMBL69546

Cc1cc(C)c(Cc2c(C)cc(C)c(O)c2C)c(C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
SHBG P04278 1/20 0.39
CYP2C19 P33261 4/20 0.38
HIF1A Q16665 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C9 P11712 2/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 4/20 0.38
CYP3A4 P08684 3/20 0.38
HTR1A P08908 3/20 0.38
ADRA2A P08913 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CHRM1 P11229 2/20 0.38
TSHR P16473 2/20 0.38
ADRA2C P18825 2/20 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
SCHEMBL10810441 0.93 PGK1 (0.41) CA1CA2PGK1PGK2SIRT1
SCHEMBL30523817 0.83 ESR1 (0.41) CA1CA2PGK1PGK2SHBG
SCHEMBL13753712 0.83 ESR1 (0.41) CA1CA2PGK1PGK2SHBG
SCHEMBL28585139 0.83 SHBG (0.42) CA1CA2PGK1PGK2SHBG
SCHEMBL29126099 0.81 CA1 (0.39) CA1CA2PGK1PGK2SIRT1
SCHEMBL29126141 0.81 CA1 (0.39) CA1CA2PGK1PGK2SHBG
SCHEMBL2371105 0.81 CA1 (0.39) CA1CA2PGK1PGK2SHBG
SCHEMBL10814457 0.79 MAOA (0.40) CA1CA2PGK1PGK2SHBG
SCHEMBL68382 0.78 CA1 (0.56) CA1CA2SHBGCYP2C19CYP2C9
SCHEMBL10694293 0.78 MAOA (0.37) PGK1PGK2SIRT1SHBGCYP2C19

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273864-A2 Diphenylmethanes CIBA-GEIGY AG (CH) 1988-07-06 EP claimed
EP-0081457-B1 PHENOLS AND THEIR USES AS STABILIZERS CIBA-GEIGY AG (CH) 1987-10-07 EP claimed
JP-2229071-A None JP disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
EP-0333445-B1 Aromatic allene compounds and preparation thereof NIPPON PAINT CO LTD (JP) 1995-01-18 EP disclosed
US-5340931-A Chemical intermediates for allyl or vinyl ether polymers NIPPON PAINT CO., LTD. (JP) 1994-08-23 US disclosed
EP-0457334-B1 Carbonates of acetylenic alcohols NIPPON PAINT CO LTD (JP) 1994-08-10 EP disclosed
JP-H02229071-A RECORDING MATERIAL RICOH CO LTD 1990-09-11 JP disclosed
EP-0333445-A2 Aromatic allene compounds and preparation thereof NIPPON PAINT CO., LTD. (JP) 1989-09-20 EP disclosed
EP-0273864-A3 DIPHENYLMETHANES CIBA-GEIGY AG (CH) 1989-04-19 EP disclosed
US-4810740-A ACRYLONITRILE-BUTADIENE-STYRENE TERPOLYMER, A METHYLENEDIPHENOL CIBA-GEIGY CORPORATION (US) 1989-03-07 US disclosed
EP-0273864-A2 Diphenylmethanes CIBA-GEIGY AG (CH) 1988-07-06 EP disclosed
EP-0273864-A2 Diphenylmethanes CIBA-GEIGY AG (CH) 1988-07-06 EP disclosed
EP-0253773-A2 Stabilized synthetic polymer CIBA-GEIGY AG (CH) 1988-01-20 EP disclosed
EP-0081457-B1 PHENOLS AND THEIR USES AS STABILIZERS CIBA-GEIGY AG (CH) 1987-10-07 EP disclosed
US-4097423-A POLYISOCYANATE, ALKALI METAL SILICATE, CONSTRUCTION MATERIALS BAYER AKTIENGESELLSCHAFT (DT) 1978-06-27 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 CA1 550/4885CA2 612/4885PGK1 4095/4885

“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.