SCHEMBL3421062

SCHEMBL3421062

CC(=CC(C)(C)c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.54
NQO2 P16083 3/20 0.54
PTGS2 P35354 3/20 0.54
ESR1 P03372 8/20 0.53
ESR2 Q92731 7/20 0.53
CYP3A4 P08684 3/20 0.46
ESRRG P62508 3/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TYR P14679 1/20 0.46
AR P10275 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR6 P50406 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
NR3C1 P04150 1/20 0.40

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
SCHEMBL7628787 1.00 PTGS1 (0.54) PTGS1NQO2PTGS2ESR1ESR2
SCHEMBL18634918 1.00 PTGS1 (0.54) PTGS1NQO2PTGS2ESR1ESR2
SCHEMBL11147182 0.84 TSHR (0.43) PTGS1NQO2PTGS2ESR1ESR2
SCHEMBL3149927 0.82 CYP19A1 (0.41) PTGS1NQO2PTGS2ESR1ESR2
SCHEMBL3149925 0.82 CYP19A1 (0.41) PTGS1NQO2PTGS2ESR1ESR2
SCHEMBL12572498 0.81 ESR1 (0.52) PTGS1NQO2PTGS2ESR1ESR2
SCHEMBL3442786 0.78 KDM1A (0.39) ESR1ESR2CYP3A4ESRRGALDH1A1
SCHEMBL3442788 0.78 KDM1A (0.39) ESR1ESR2CYP3A4ESRRGALDH1A1
SCHEMBL18699329 0.76 ESR1 (0.64) PTGS1NQO2PTGS2ESR1ESR2
SCHEMBL2989490 0.76 KDM1A (0.38) ESR1ESR2CYP3A4ESRRGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002887-B1 A LINEAR TRIMER OF P-ISOPROPENYL PHENOL, A PROCESS FOR THE PREPARATION OF THE TRIMER, EPOXY RESINS CURED USING THE TRIMER AND AN EPOXY DERIVATIVE OF THE TRIMER MITSUI TOATSU CHEMICALS, Inc. (JP) 1981-11-25 EP claimed
US-4201877-A ACID CATALYST, SOLVENT MITSUI TOATSU CHEMICALS INC. (JP) 1980-05-06 US claimed
EP-0002887-A1 A linear trimer of p-isopropenyl phenol, a process for the preparation of the trimer, epoxy resins cured using the trimer and an epoxy derivative of the trimer MITSUI TOATSU CHEMICALS, Inc. (JP) 1979-07-11 EP claimed
JP-62010050-A None JP disclosed
JP-9059366-A None JP disclosed
US-10155709-B2 Sythesis of bisphenols SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-12-18 US disclosed
US-20170174598-A1 SYTHESIS OF BISPHENOLS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-06-22 US disclosed
EP-3169658-A1 SYNTHESIS OF BISPHENOLS SABIC Global Technologies B.V. (NL) 2017-05-24 EP disclosed
US-9255053-B2 Treatment of bisphenol-A residue streams BADGER LICENSING LLC (US) 2016-02-09 US disclosed
WO-2016009362-A1 SYNTHESIS OF BISPHENOLS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2016-01-21 WO disclosed
EP-2718252-B1 TREATMENT OF BISPHENOL-A RESIDUE STREAMS BADGER LICENSING LLC (US) 2015-04-22 EP disclosed
US-4418220-A Novel indene compound and novel process for producing indene compounds MITSUI TOATSU CHEMICALS INC. (JP) 1983-11-29 US disclosed
US-4397864-A LOW TOXICITY MITSUITOATSU CHEMICALS INC. (JP) 1983-08-09 US disclosed
US-4374272-A Process for preparing 2-(4'-hydroxyaryl)-2-(4'-aminoaryl)-propanes MITSUI TOATSU CHEMICALS, INC. (JP) 1983-02-15 US disclosed
US-4366328-A HEAT DECOMPOSITION OF A 1,1,3-TRIMETHYL, 3-HYDROXYPHENYL, HYDROXYINDANE USING AN ACID OR BASIC CATALYST; DEARYLATION; AROMATIZATION MITSUI TOATSU CHEMICALS, INC. (JP) 1982-12-28 US disclosed
US-4334106-A CYLIZATION THE UPJOHN COMPANY (US) 1982-06-08 US disclosed
EP-0002887-B1 A LINEAR TRIMER OF P-ISOPROPENYL PHENOL, A PROCESS FOR THE PREPARATION OF THE TRIMER, EPOXY RESINS CURED USING THE TRIMER AND AN EPOXY DERIVATIVE OF THE TRIMER MITSUI TOATSU CHEMICALS, Inc. (JP) 1981-11-25 EP disclosed
US-4242528-A THERMAL DECOMPOSITION OF OLIGOMERS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1980-12-30 US disclosed
US-4201877-A ACID CATALYST, SOLVENT MITSUI TOATSU CHEMICALS INC. (JP) 1980-05-06 US disclosed
EP-0002887-A1 A linear trimer of p-isopropenyl phenol, a process for the preparation of the trimer, epoxy resins cured using the trimer and an epoxy derivative of the trimer MITSUI TOATSU CHEMICALS, Inc. (JP) 1979-07-11 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-20170174598-A1 SYTHESIS OF BISPHENOLS TET1, BCHE, ESR1 PTGS1 1013/4885NQO2 656/4885PTGS2 1157/4885
US-10155709-B2 Sythesis of bisphenols TET1, BCHE, ESR1 PTGS1 1013/4885NQO2 656/4885PTGS2 1157/4885

“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.