SCHEMBL411125

SCHEMBL411125

Cc1c(C)c(C)c2c(c1C)C(=O)OC2=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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 1.00 TSHR (0.43) TSHRALDH1A1ALOX15TDP1
SCHEMBL12869481 0.84 TSHR (0.41) TSHRALDH1A1ALOX15TDP1
SCHEMBL15025020 0.78 ALDH1A1 (0.38) TSHRALDH1A1TDP1
SCHEMBL14217298 0.78 TSHR (0.41) TSHRALDH1A1ALOX15TDP1
SCHEMBL17850081 0.77 TSHR (0.31) TSHRALDH1A1
Phthalic Anhydride SCHEMBL9808990 0.76 TDP1 (0.54) TSHRALDH1A1ALOX15TDP1
SCHEMBL17897617 0.75 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL15801317 0.75 TSHR (0.35) TSHRALDH1A1
SCHEMBL13415489 0.75 ALOX15 (0.42) TSHRALDH1A1ALOX15TDP1
SCHEMBL30971006 0.75 TSHR (0.35) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11732205-B2 Compositions and methods and uses relating thereto INNOSPEC LIMITED (GB) 2023-08-22 US disclosed
US-9980487-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them SDS BIOTECH K.K. (JP) 2018-05-29 US disclosed
US-20170231226-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM SDS BIOTECH K.K. (JP) 2017-08-17 US disclosed
EP-2604289-B1 RADIAL SHAPE OF POLYMER COMPOUND CONTAINING IODINE, PREPARATION METHOD THEREOF, AND CT CONTRAST MEDIUM COMPOSITION CONTAINING SAME KOREA RES INST BIOSCIENCE & BIOTECHNOLOGY (KR) 2017-08-16 EP disclosed
US-20160320372-A1 CARBOXY X RHODAMINE ANALOGS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-11-03 US disclosed
US-9382384-B2 μ-polyoxo crosslinked phthalocyanine compound, preparing method thereof, and near infrared ray absorbing and reflecting composition using the same NANO CMS CO., LTD. (KR) 2016-07-05 US disclosed
US-20150260725-A1 CARBOXY X RHODAMINE ANALOGS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2015-09-17 US disclosed
US-20150183938-A1 µ-POLYOXO CROSSLINKED PHTHALOCYANINE COMPOUND, PREPARING METHOD THEREOF, AND NEAR INFRARED RAY ABSORBING AND REFLECTING COMPOSITION USING THE SAME NANO CMS CO., LTD. (KR) 2015-07-02 US disclosed
US-9062206-B2 Bis-quinophthalone pigment and a process for preparing the same Gharda Medical and Advanced Technologies Foundation (IN) 2015-06-23 US disclosed
US-9056885-B2 Carboxy X rhodamine analogs PROMEGA CORPORATION (US) 2015-06-16 US disclosed
US-6635602-B1 Heat sensitive and pressure sensitive recording material; synthesised directly by the reaction of two derivatives of amino phenols, phthalic anhydrides, keto acids and/or diphenylamines with a phenol derivative CIBA SPECIALTY CHEMICALS CORPORATION 2003-10-21 US disclosed
US-6566302-B1 For use in heat sensitive and pressure sensitive recording materials CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-20 US disclosed
EP-1107972-B1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN CIBA SC HOLDING AG (CH) 2003-01-02 EP disclosed
EP-1115579-B1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SC HOLDING AG (CH) 2002-11-20 EP disclosed
EP-1115579-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION Ciba SC Holding AG (CH) 2001-07-18 EP disclosed
WO-2000026037-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-05-11 WO disclosed
WO-2000012318-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed
US-5552477-A WATER WITH BINDER, WATER SOLUBLE REACTIVE DILUENT AND POLYISOCYANATE AND POLYOL TO FORM POLYESTERURETHANE RESINS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-03 US disclosed
EP-0603219-A1 COATING AGENT, A PROCESS FOR ITS PRODUCTION AND ITS USE TO PRODUCE COATINGS BAYER AG (DE) 1994-06-29 EP disclosed
WO-1993005087-A1 COATING AGENT, A PROCESS FOR ITS PRODUCTION AND ITS USE TO PRODUCE COATINGS BAYER AKTIENGESELLSCHAFT (DE) 1993-03-18 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 (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-20170231226-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM CYP51A1, CYP4Z1, ERG28 TSHR 4433/4885ALDH1A1 1607/4885ALOX15 2831/4885
US-20160320372-A1 CARBOXY X RHODAMINE ANALOGS PRCP, CPA3, CPA4 TSHR 3131/4885ALDH1A1 1788/4885ALOX15 3250/4885

“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.