SCHEMBL7705085

SCHEMBL7705085

CC(C)(C)c1cc(C(C)(C)c2ccccc2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.57
ALDH1A1 P00352 5/20 0.57
ESR2 Q92731 5/20 0.57
CYP3A4 P08684 2/20 0.57
ALOX15 P16050 4/20 0.52
HSD17B10 Q99714 3/20 0.52
NR1I2 O75469 1/20 0.52
LMNA P02545 1/20 0.52
CYP2C9 P11712 1/20 0.52
MIF P14174 1/20 0.52
TYR P14679 1/20 0.52
HTT P42858 1/20 0.52
NFE2L2 Q16236 1/20 0.52
CNR1 P21554 4/20 0.51
CNR2 P34972 4/20 0.51
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 2/20 0.50
KLF10 Q13118 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL29547368 0.91 ESR1 (0.59) ESR1ALDH1A1ESR2CYP3A4ALOX15
SCHEMBL745012 0.91 ESR1 (0.59) ESR1ALDH1A1ESR2CYP3A4ALOX15
SCHEMBL29377969 0.90 ALDH1A1 (0.61) ESR1ALDH1A1ESR2CYP3A4ALOX15
SCHEMBL122974 0.90 ALDH1A1 (0.61) ESR1ALDH1A1ESR2CYP3A4ALOX15
SCHEMBL29352462 0.90 ALDH1A1 (0.61) ESR1ALDH1A1ESR2CYP3A4ALOX15
Bisphenol A SCHEMBL7744724 0.87 ALDH1A1 (0.64) ESR1ALDH1A1ESR2CYP3A4ALOX15
SCHEMBL9617582 0.87 ALDH1A1 (0.64) ESR1ALDH1A1ESR2CYP3A4ALOX15
SCHEMBL29515859 0.87 ALDH1A1 (0.64) ESR1ALDH1A1ESR2CYP3A4ALOX15
SCHEMBL7917289 0.87 ALDH1A1 (0.53) ESR1ALDH1A1ESR2CYP3A4ALOX15
SCHEMBL18635220 0.86 ESR1 (0.69) ESR1ALDH1A1ESR2CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6063843-A MOLDED ARTICLES, FIBERS; PHOTOSTABILITY, HEAT AND OXIDATION RESISTANCE CLARIANT FINANCE (BVI) LIMITED (VG) 2000-05-16 US claimed
EP-0344550-B1 Method for stabilizing polymer materials, stabilizer composition therefor and stabilized polymer materials VUCHT AS (SK) 1993-12-08 EP claimed
EP-0344550-A1 Method for stabilizing polymer materials, stabilizer composition therefor and stabilized polymer materials Vucht a.s. Bratislava (SK) 1989-12-06 EP claimed
US-9249090-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-02 US disclosed
US-9249090-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-02 US disclosed
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-05 US disclosed
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-05 US disclosed
US-6365634-B1 CUMYLPHENOL; NONSTEROIDAL ANTIINFLAMMATORY AGENT; FROM PEAT BOG C-P TECHNOLOGY LIMITED PARTNERSHIP 2002-04-02 US disclosed
EP-0697425-B1 Hardener blend for epoxy resins CIBA GEIGY AG (CH) 1999-03-17 EP disclosed
US-5821318-A POLYAMINES; ALCOHOL VISCOSITY DEPRESSANT; PHENOLIC ACCELERATOR CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-10-13 US disclosed
EP-0697425-A1 Hardener blend for epoxy resins CIBA-GEIGY AG (CH) 1996-02-21 EP disclosed
EP-0344550-B1 Method for stabilizing polymer materials, stabilizer composition therefor and stabilized polymer materials VUCHT AS (SK) 1993-12-08 EP disclosed
EP-0344550-A1 Method for stabilizing polymer materials, stabilizer composition therefor and stabilized polymer materials Vucht a.s. Bratislava (SK) 1989-12-06 EP disclosed
EP-0344550-A1 Method for stabilizing polymer materials, stabilizer composition therefor and stabilized polymer materials Vucht a.s. Bratislava (SK) 1989-12-06 EP disclosed
US-4439570-A BUTADIENE RUBBERS, THIORGANO PHOSPHINE EUTECO IMPIANTI S.P.A. (IT) 1984-03-27 US disclosed
US-3933928-A Method for producing 2,6-di-tert.-butyl-4-cumyl phenol MITSUI TOATSU CHEMICALS, INCORPORATED (JA) 1976-01-20 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-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH ESR1 623/4885ALDH1A1 574/4885ESR2 986/4885

“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.