SCHEMBL12869481

SCHEMBL12869481

Cc1c(C)c2c3c(c(C)c(C)c4c3c1C(=O)OC4=O)C(=O)OC2=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL31634625 0.84 TSHR (0.43) TSHRALDH1A1ALOX15TDP1
SCHEMBL411125 0.84 TSHR (0.43) TSHRALDH1A1ALOX15TDP1
SCHEMBL23712949 0.80 TSHR (0.32) TSHRALDH1A1
SCHEMBL14217298 0.75 TSHR (0.41) TSHRALDH1A1ALOX15TDP1
SCHEMBL24316717 0.71 TDP2 (0.38) TSHRALDH1A1ALOX15TDP1
SCHEMBL17850081 0.69 TSHR (0.31) TSHRALDH1A1
SCHEMBL13578730 0.69 TSHR (0.72) TSHRALDH1A1ALOX15TDP1
SCHEMBL18475709 0.69 TSHR (0.48) TSHRALDH1A1ALOX15TDP1
SCHEMBL126998 0.69 TSHR (0.41) TSHRALDH1A1ALOX15TDP1
SCHEMBL125842 0.69 TSHR (0.72) TSHRALDH1A1ALOX15TDP1

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-20190229151-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLID-STATE IMAGING APPARATUS SONY SEMICONDUCTOR SOLUTIONS CORPORATION (JP) 2019-07-25 US disclosed
US-20170327465-A1 4-HYDROXYQUINOLINE COMPOUNDS BASF SE (DE) 2017-11-16 US disclosed
US-20170331049-A1 4-OXOQUINOLINE COMPOUNDS BASF SE (DE) 2017-11-16 US disclosed
US-20170018717-A1 NEW CYCLAZINES AND THEIR USE AS SEMICONDUCTORS MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-01-19 US disclosed
US-8888906-B2 Heat-sensitive color-developing composition and heat-sensitive recording material comprising the composition YAMAMOTO CHEMICALS, INC. (JP) 2014-11-18 US disclosed
US-8888906-B2 Heat-sensitive color-developing composition and heat-sensitive recording material comprising the composition YAMAMOTO CHEMICALS, INC. (JP) 2014-11-18 US disclosed
US-8710225-B2 Thiocyanato or isothiocyanato substituted naphthalene diimide and rylene diimide compounds and their use as n-type semiconductors BASF SE (DE) 2014-04-29 US disclosed
US-20130289279-A1 THIOCYANATO OR ISOTHIOCYANATO SUBSTITUTED NAPHTHALENE DIIMIDE AND RYLENE DIIMIDE COMPOUNDS AND THEIR USE AS N-TYPE SEMICONDUCTORS BASF SE (DE) 2013-10-31 US disclosed
US-20130180430-A1 HEAT-SENSITIVE COLOR-DEVELOPING COMPOSITION AND HEAT-SENSITIVE RECORDING MATERIAL COMPRISING THE COMPOSITION YAMAMOTO CHEMICALS, INC. (JP) 2013-07-18 US disclosed
US-20130180430-A1 HEAT-SENSITIVE COLOR-DEVELOPING COMPOSITION AND HEAT-SENSITIVE RECORDING MATERIAL COMPRISING THE COMPOSITION YAMAMOTO CHEMICALS, INC. (JP) 2013-07-18 US disclosed
US-8481736-B2 Liquid crystalline rylene tetracarboxylic acid derivatives and use thereof BASF SE (DE) 2013-07-09 US disclosed
US-8350035-B2 Fluorinated rylenetetracarboxylic acid derivatives and use thereof BASF AKTIENGESELLSCHAFT (DE) 2013-01-08 US disclosed
US-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2011-02-24 US disclosed
US-20110003118-A1 MEMBER FOR IMAGE FORMING APPARATUS, IMAGE FORMING APPARATUS, AND UNIT FOR IMAGE FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2011-01-06 US disclosed
US-20110003118-A1 MEMBER FOR IMAGE FORMING APPARATUS, IMAGE FORMING APPARATUS, AND UNIT FOR IMAGE FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2011-01-06 US disclosed
US-20090166614-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2009-07-02 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 (5 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-20170331049-A1 4-OXOQUINOLINE COMPOUNDS DRD4, PRMT7, PRMT8 TSHR 2373/4885ALDH1A1 757/4885ALOX15 4412/4885
US-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF TPR, ROR1, CA3 TSHR 1618/4885ALDH1A1 4792/4885ALOX15 844/4885
US-20170018717-A1 NEW CYCLAZINES AND THEIR USE AS SEMICONDUCTORS CHRM2, RPS4Y1, CHRM4 TSHR 2854/4885ALDH1A1 3820/4885ALOX15 4182/4885
US-20090166614-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF FXR2, FXR1, FTO TSHR 810/4885ALDH1A1 4226/4885ALOX15 1538/4885
US-20170327465-A1 4-HYDROXYQUINOLINE COMPOUNDS DRD4, NQO2, DRD5 TSHR 1601/4885ALDH1A1 610/4885ALOX15 4199/4885

“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.