SCHEMBL348622

SCHEMBL348622

CC(C)(C)c1ccc([CH]c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CYP1A2 P05177 1/20 0.52
LMNA P02545 1/20 0.50
TYR P14679 1/20 0.50
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
AMY1A P0DUB6 1/20 0.45
PKM P14618 1/20 0.45
KIF11 P52732 2/20 0.42
ALDH1A1 P00352 3/20 0.41
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL8881303 0.90 TRPV1 (0.46) TSHRCYP1A2LMNATYRGRIN2D
SCHEMBL18240646 0.88 MEN1 (0.48) TSHRCYP1A2LMNATYRGRIN2D
SCHEMBL1825727 0.82 CYP1A2 (0.64) TSHRCYP1A2LMNATYRGRIN2D
SCHEMBL1825729 0.82 CYP1A2 (0.64) TSHRCYP1A2LMNATYRGRIN2D
SCHEMBL424728 0.80 TSHR (0.73) TSHRCYP1A2LMNATYRKIF11
SCHEMBL14205332 0.80 GRIN2D (0.50) TSHRCYP1A2LMNATYRGRIN2D
SCHEMBL141087 0.80 CYP1A2 (0.50) TSHRCYP1A2LMNATYRGRIN2D
SCHEMBL29145894 0.80 CYP1A2 (0.61) TSHRCYP1A2LMNATYRGRIN2D
SCHEMBL43060 0.78 EPHX2 (0.56) TSHRCYP1A2LMNATYRGRIN2D
SCHEMBL9454070 0.78 CYP1A2 (0.48) TSHRCYP1A2LMNATYRGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118176220-A Catalyst for olefin polymerization and process for producing olefin polymer 国立大学法人东京大学 2024-06-11 CN disclosed
EP-2419391-B1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KK (JP) 2014-04-30 EP disclosed
EP-2417085-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Canon Kabushiki Kaisha (JP) 2012-02-15 EP disclosed
US-20120013700-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-01-19 US disclosed
US-20110315973-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-12-29 US disclosed
WO-2010116661-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2010-10-14 WO disclosed
US-20070189058-A1 Molecular system and method for reversibly switching the same between four states HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2007-08-16 US disclosed
US-20070112103-A1 Molecular system and method for reversibly switching the same HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2007-05-17 US disclosed
CN-1782044-A Synthetic lubricating oil and lubricating oil composition MITSUI CHEMICALS INC (JP) 2006-06-07 CN disclosed
US-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0691962-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 EP disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO 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-20110315973-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE NR2E3, PYM1, TYR TSHR 2717/4885CYP1A2 151/4885LMNA 2850/4885

“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.