SCHEMBL5988511

SCHEMBL5988511

O=C(CBr)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.50
CYP17A1 P05093 3/20 0.45
EPHX2 P34913 2/20 0.45
NPSR1 Q6W5P4 3/20 0.43
TSHR P16473 2/20 0.43
NAAA Q02083 1/20 0.37
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL952296 0.87 CYP19A1 (0.44) CYP19A1CYP17A1EPHX2NPSR1TSHR
SCHEMBL14929483 0.86 TSHR (0.40) CYP19A1CYP17A1EPHX2NPSR1TSHR
SCHEMBL9619394 0.84 EPHX2 (0.50) CYP19A1CYP17A1EPHX2NPSR1TSHR
SCHEMBL27436848 0.83 CYP19A1 (0.53) CYP19A1CYP17A1EPHX2NPSR1TSHR
SCHEMBL5512258 0.82 PKM (0.38) CYP19A1CYP17A1EPHX2ALDH1A1
SCHEMBL14929453 0.82 CYP19A1 (0.38) CYP19A1CYP17A1EPHX2NPSR1TSHR
SCHEMBL9917016 0.81 CYP19A1 (0.56) CYP19A1CYP17A1EPHX2NPSR1TSHR
SCHEMBL25946764 0.79 PKM (0.44) CYP19A1CYP17A1EPHX2NPSR1ALDH1A1
SCHEMBL3902972 0.79 CYP19A1 (0.50) CYP19A1CYP17A1EPHX2NPSR1TSHR
SCHEMBL18826687 0.79 CYP19A1 (0.50) CYP19A1CYP17A1EPHX2NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111302979-A Single-component molecular glass and preparation method and application thereof 苏州瑞红电子化学品有限公司 2020-06-19 CN claimed
US-12390437-B2 Itaconic acid derivatives and uses thereof intreating an inflammatory disease or a disease associated with an undesirable immune response SITRYX THERAPEUTICS LIMITED (GB) 2025-08-19 US disclosed
EP-3962602-B1 ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LTD (GB) 2025-06-25 EP disclosed
US-11852970-B2 Material for lithography, production method therefor, composition for lithography, pattern formation method, compound, resin, and method for purifying the compound or the resin MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-26 US disclosed
US-20220265595-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF INTREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LIMITED (GB) 2022-08-25 US disclosed
EP-3962888-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE Sitryx Therapeutics Limited (GB) 2022-03-09 EP disclosed
EP-3962602-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE Sitryx Therapeutics Limited (GB) 2022-03-09 EP disclosed
CN-113825740-A Itaconic acid derivatives and their use in the treatment of inflammatory diseases or diseases associated with adverse immune reactions 西特瑞治疗有限公司 2021-12-21 CN disclosed
EP-3141957-B1 RESIST MATERIAL, RESIST COMPOSITION, AND RESIST PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL CO (JP) 2021-03-24 EP disclosed
WO-2021049472-A1 COMPOUND, RESIN, COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, UNDERLAYER FILM, AND OPTICAL ARTICLE 学校法人 関西大学 2021-03-18 WO disclosed
CN-106462059-B Resist material, resist composition, and resist pattern forming method 三菱瓦斯化学株式会社 2020-07-28 CN disclosed
CN-111302979-A Single-component molecular glass and preparation method and application thereof 苏州瑞红电子化学品有限公司 2020-06-19 CN disclosed
US-10437148-B2 Resist material, resist composition and method for forming resist pattern MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2019-10-08 US disclosed
US-20180246405-A1 MATERIAL FOR LITHOGRAPHY, PRODUCTION METHOD THEREFOR, COMPOSITION FOR LITHOGRAPHY, PATTERN FORMATION METHOD, COMPOUND, RESIN, AND METHOD FOR PURIFYING THE COMPOUND OR THE RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-08-30 US disclosed
EP-3343290-A1 LITHOGRAPHY MATERIAL AND MANUFACTURING METHOD THEREFOR, LITHOGRAPHY COMPOSITION, PATTERN FORMING METHOD, COMPOUND, RESIN, AND REFINING METHOD FOR COMPOUND AND RESIN A School Corporation Kansai University (JP) 2018-07-04 EP disclosed
US-20170145142-A1 RESIST MATERIAL, RESIST COMPOSITION AND METHOD FOR FORMING RESIST PATTERN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-05-25 US disclosed
EP-3141957-A1 RESIST MATERIAL, RESIST COMPOSITION, AND RESIST PATTERN FORMATION METHOD Mitsubishi Gas Chemical Company, Inc. (JP) 2017-03-15 EP disclosed
CN-106462059-A Resist material, resist composition, and resist pattern formation method 三菱瓦斯化学株式会社 2017-02-22 CN disclosed
US-7144902-B1 Prodrugs of thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2006-12-05 US disclosed
CN-1355810-A Prodrugs of thrombin inhibitors BASF AG (DE) 2002-06-26 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 (4 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-20220265595-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF INTREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE IL1R1, IL1B, IL1A CYP19A1 476/4885CYP17A1 139/4885EPHX2 2071/4885
US-11852970-B2 Material for lithography, production method therefor, composition for lithography, pattern formation method, compound, resin, and method for purifying the compound or the resin SLC39A11, CROCC, TERB1 CYP19A1 3684/4885CYP17A1 2516/4885EPHX2 1686/4885
US-20180246405-A1 MATERIAL FOR LITHOGRAPHY, PRODUCTION METHOD THEREFOR, COMPOSITION FOR LITHOGRAPHY, PATTERN FORMATION METHOD, COMPOUND, RESIN, AND METHOD FOR PURIFYING THE COMPOUND OR THE RESIN CROCC, TERB1, LRRC47 CYP19A1 3664/4885CYP17A1 2639/4885EPHX2 1948/4885
US-12390437-B2 Itaconic acid derivatives and uses thereof intreating an inflammatory disease or a disease associated with an undesirable immune response IL1R1, IL1B, IL1A CYP19A1 476/4885CYP17A1 139/4885EPHX2 2071/4885

“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.