SCHEMBL536089

SCHEMBL536089

CC(C)(C)c1ccccc1[C]=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
CA2 P00918 1/20 0.41
RBP4 P02753 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
KIF11 P52732 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL9248714 0.84 ALDH1A1 (0.33) ALDH1A1TDP1TSHRCA2
SCHEMBL7292118 0.82 ALDH1A1 (0.32) ALDH1A1TDP1TSHR
SCHEMBL634438 0.80 CA2 (0.41) ALDH1A1TDP1TSHRCA2RBP4
SCHEMBL10600545 0.79 NPC1 (0.36) ALDH1A1TDP1TSHRATM
SCHEMBL11390596 0.78 CA2 (0.36) ALDH1A1TDP1TSHRCA2RBP4
SCHEMBL717061 0.78 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL179312 0.76 TSHR (0.50) ALDH1A1TDP1TSHRCA2GAA
SCHEMBL3148798 0.76 TSHR (0.35) TSHR
SCHEMBL8099528 0.76 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCA2RBP4
SCHEMBL4590165 0.76 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCA2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4131539-A1 ELECTROCHEMICAL DEVICE Amperex Technology Limited (HK) 2023-02-08 EP claimed
CN-114681473-A Application of glucosamine and derivatives thereof as anti-novel coronavirus drugs 南湖实验室 2022-07-01 CN claimed
CN-112336733-A Application of glucosamine and derivatives thereof as anti-novel coronavirus drugs 南湖实验室 2021-02-09 CN claimed
EP-3682029-A1 DETECTION OF RECOMBINASE POLYMERASE AMPLIFICATION USING DUAL-HAPTEN PROBE Alere San Diego Inc. (US) 2020-07-22 EP claimed
CN-111201328-A Detection of amplification of recombinant enzyme polymerase using dual hapten probes 爱乐圣地亚哥公司 2020-05-26 CN claimed
CN-110806677-A Photoresist composition, pattern forming method and application thereof 常州强力先端电子材料有限公司 2020-02-18 CN claimed
CN-107382874-B The preparation method and applications of a kind of chirality six-membered heterocycle carbene precursor salt 浙江大学城市学院 2019-11-22 CN claimed
CN-110256221-A A kind of synthetic method of 2- alkyl-anthraquinone 宜昌苏鹏科技有限公司 2019-09-20 CN claimed
WO-2019055780-A1 DETECTION OF RECOMBINASE POLYMERASE AMPLIFICATION USING DUAL-HAPTEN PROBE ALERE SAN DIEGO INC. (US) 2019-03-21 WO claimed
EP-3162819-B1 IMPROVED ZIEGLER-NATTA CATALYST SYNTHESIS AND PROCESS THEREOF INDIAN OIL CORP LTD (IN) 2018-09-05 EP claimed
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO claimed
WO-2005073336-A1 METHODS OF REDUCING SAG IN NON-AQUEOUS FLUIDS CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2005-08-11 WO claimed
US-20050059817-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives SIRNA THERAPEUTICS, INC. (US) 2005-03-17 US claimed
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP claimed
US-20020150936-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives RIBOZYME PHARMACEUTICALS, INC. 2002-10-17 US claimed
EP-0532752-B1 COMPOUND TAN-1251, ITS DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-12-16 EP claimed
US-4774332-A LIGHT STABILIZERS FOR POLYMERS SANDOZ, LTD. (CH) 1988-09-27 US claimed
US-4754034-A RECORDING MATERIALS, PRESSURE SENSITIVE, THERMOREACTIVE, ELECTROCHROMIC BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US claimed
EP-0180813-B1 CHROMOGENIC 4,4-DIARYLDIHYDROCHINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1988-06-01 EP claimed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 EP claimed

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-20050059817-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B ALDH1A1 2429/4885TDP1 1161/4885TSHR 4580/4885
US-20020150936-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B ALDH1A1 2830/4885TDP1 1182/4885TSHR 4568/4885

“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.