SCHEMBL4895513

SCHEMBL4895513

CCOc1ccc2c(c1)Cc1cc(OCC)ccc1-2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.52
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.44
CES2 O00748 1/20 0.44
PDK2 Q15119 1/20 0.44
CYP19A1 P11511 2/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43

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
SCHEMBL31066797 0.91 MEN1 (0.50) NQO1MAPTMEN1KMT2APDK2
SCHEMBL19417361 0.89 NQO1 (0.42) NQO1MAPTL3MBTL1MEN1KMT2A
SCHEMBL19417313 0.89 METAP1 (0.47) NQO1MAPTL3MBTL1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL28116264 0.88 NQO1 (0.52) NQO1MAPTMEN1KMT2APOLB
SCHEMBL4899699 0.88 NQO1 (0.52) NQO1MAPTL3MBTL1MEN1KMT2A
SCHEMBL10692866 0.86 MAPT (0.55) NQO1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4887538 0.84 SLC2A1 (0.48) MAPTL3MBTL1MEN1KMT2ACES2
SCHEMBL4894161 0.84 NPC1 (0.53) MAPTL3MBTL1MEN1KMT2APDK2
SCHEMBL10071512 0.81 NQO1 (0.54) NQO1MAPTMEN1KMT2APOLB
SCHEMBL8143543 0.80 THRA (0.54) MAPTL3MBTL1MEN1KMT2APDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8243113-B2 Ordinary-temperature-phosphorescent organic material, reversibly thermosensitive recording material, reversibly thermosensitive recording medium, and method of recording in reversibly thermosensitive recording medium NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2012-08-14 US disclosed
US-8084559-B2 Ethylene-vinylcyclohexane copolymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-27 US disclosed
US-20100328412-A1 ORDINARY-TEMPERATURE-PHOSPHORESCENT ORGANIC MATERIAL, REVERSIBLY THERMOSENSITIVE RECORDING MATERIAL, REVERSIBLY THERMOSENSITIVE RECORDING MEDIUM, AND METHOD OF RECORDING IN REVERSIBLY THERMOSENSITIVE RECORDING MEDIUM NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2010-12-30 US disclosed
US-20080161514-A1 Transition Metal Complex, Process For Producing Said Transition Metal Complex, Substituent-Carrying Fluorene Compound, Process For Producing Said Fluorene Compound, Catalyst Component For Olefin Polymerization, Catalyst For Olefin Polymerization, and Process For Producing Olefin Polymer SUMITOMO CHEMICAL COMPANY, LIMTIED (JP) 2008-07-03 US disclosed
CN-101107260-A Transition metal complex, method for producing the same, substituted fluorene compound, method for producing the substituted fluorene compound, catalyst component for olefin polymerization, catalyst for olefin polymerization, and method for producing olefin polymer SUMITOMO CHEMICAL CO (JP) 2008-01-16 CN 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-20080161514-A1 Transition Metal Complex, Process For Producing Said Transition Metal Complex, Substituent-Carrying Fluorene Compound, Process For Producing Said Fluorene Compound, Catalyst Component For Olefin Polymerization, Catalyst For Olefin Polymerization, and Process For Producing Olefin Polymer AOC2, ACSL1, ACSL3 NQO1 421/4885MAPT 3437/4885L3MBTL1 2860/4885

“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.