SCHEMBL199652

SCHEMBL199652

CC(C)(C)CC(C)(C)Sc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.50
ESR1 P03372 9/20 0.43
NR1H2 P55055 1/20 0.41
ESR2 Q92731 8/20 0.38
CYP3A4 P08684 4/20 0.38
LMNA P02545 2/20 0.38
TYR P14679 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
AR P10275 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR6 P50406 1/20 0.38
ESRRG P62508 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 3/20 0.33
CA2 P00918 2/20 0.33
MEN1 O00255 2/20 0.33
BLM P54132 2/20 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
SCHEMBL202011 0.81 ESR1 (0.45) SHBGESR1NR1H2ESR2CYP3A4
SCHEMBL199651 0.79 SLC6A4 (0.32) SLC6A4
SCHEMBL10352481 0.79 SLC6A4 (0.36) CYP3A4LMNATSHRSLC6A2SLC6A4
SCHEMBL10351871 0.78 ALDH1A1 (0.37) SHBGCYP3A4LMNAHPGDHSD17B10
SCHEMBL199519 0.78 ESR1 (0.48) SHBGESR1NR1H2ESR2CYP3A4
Barium SCHEMBL2729092 0.77 ALDH1A1 (0.36) CYP3A4HPGDHSD17B10SLC6A2ALDH1A1
SCHEMBL2480563 0.75 NR1H2 (0.50) SHBGESR1NR1H2ESR2CYP3A4
SCHEMBL199752 0.75 ESR1 (0.52) SHBGESR1NR1H2ESR2CYP3A4
SCHEMBL7071392 0.73 NR1H2 (0.48) SHBGESR1NR1H2ESR2CYP3A4
SCHEMBL8609684 0.73 NR1H2 (0.48) SHBGESR1NR1H2ESR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0203879-B1 FUNCTIONALIZED MONOMERS FROM 1-(1-ISOCYANATO-1-METHYLETHYL)-3 OR 4-(1-METHYLETHENYL) BENZENE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1990-05-02 EP claimed
EP-0203879-A2 Functionalized monomers from 1-(1-isocyanato-1-methylethyl)-3 or 4-(1-methylethenyl) benzene THE GOODYEAR TIRE & RUBBER COMPANY (US) 1986-12-03 EP claimed
CN-86103465-A Prepare functionalized monomer's method by 1-(1-isocyanato-1 methylethyl)-3-(1-methyl ethylene) benzene or 1-(1-isocyanato-1-methylethyl)-4-(1-methyl ethylene) benzene 1986-12-03 CN claimed
US-4604439-A STABILIZERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1986-08-05 US claimed
WO-2020137819-A1 LIGHT-RESISTANT, HEAT-RESISTANT, AND DURABLE UV ABSORBENT ミヨシ油脂株式会社 2020-07-02 WO disclosed
US-8088922-B2 Dibenzorylenetetracarboximides as infrared absorbers BASF AKTIENGESELLSCHAFT (DE) 2012-01-03 US disclosed
EP-2029573-B1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2011-10-26 EP disclosed
US-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF AKTIENGESELLSCHAFT (DE) 2010-02-25 US disclosed
US-5191083-A Unsaturated monomers with pendant carbamate groups, stabilization of synthetic rubbers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1993-03-02 US disclosed
EP-0203879-B1 FUNCTIONALIZED MONOMERS FROM 1-(1-ISOCYANATO-1-METHYLETHYL)-3 OR 4-(1-METHYLETHENYL) BENZENE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1990-05-02 EP disclosed
US-4853478-A ANTIDEGRADATION MONOMERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1989-08-01 US disclosed
EP-0203879-A2 Functionalized monomers from 1-(1-isocyanato-1-methylethyl)-3 or 4-(1-methylethenyl) benzene THE GOODYEAR TIRE & RUBBER COMPANY (US) 1986-12-03 EP disclosed
US-4604439-A STABILIZERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1986-08-05 US disclosed
US-4143076-A MERCAPTO PHENOLIC AND ALKYLTHIO PHENOLIC ANTIOXIDANTS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-03-06 US disclosed
US-4128530-A Mercapto phenolic and alkylthio phenolic antioxidants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-12-05 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-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS TDO2, C9, CYP3A43 SHBG 564/4885ESR1 2527/4885NR1H2 1954/4885

“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.