SCHEMBL12494830

SCHEMBL12494830

CC1=CCCC(C)(C)C1/C=C/C(C)=C/C=C/C(C)=C/C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ MAPT P10636 5/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ RXRA P19793 8/20 0.48
▸ RARA P10276 8/20 0.48
▸ RARB P10826 6/20 0.48
▸ RARG P13631 6/20 0.48
▸ RXRB P28702 4/20 0.48
▸ RXRG P48443 4/20 0.48
▸ PTGS1 P23219 3/20 0.48
▸ RORC P51449 2/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ HTR2B P41595 2/20 0.48
▸ BLM P54132 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48

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
SCHEMBL9856621 1.00 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL5532432 1.00 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL12494087 1.00 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL15609523 1.00 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL30575788 0.94 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL12493700 0.94 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL15609079 0.94 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL29435876 0.88 ALDH1A1 (0.58) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL14566281 0.86 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL14566202 0.86 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1MAPT

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
CN-118178636-A Immunogenic compositions and uses thereof 镁迪生医股份有限公司 2024-06-14 — — CN claimed
US-12590288-B2 Method of treating an inflammatory disease by administering an agent which binds a surface receptor on a tuft cell that induces an ILC class 2 inflammatory response THE BROAD INSTITUTE, INC. (US) 2026-03-31 — — US disclosed
US-12227578-B2 Modulation of intestinal epithelial cell differentiation, maintenance and/or function through T cell action THE BROAD INSTITUTE, INC. (US) 2025-02-18 — — US disclosed
CN-118021824-B Medicine for resisting Marek's disease virus and application of dandelion sterol or ferulic acid in preparation of medicine by combination 吉林大学 2024-11-26 — — CN disclosed
CN-118021824-A Medicine for resisting Marek's disease virus and application of dandelion sterol or ferulic acid in preparation of medicine by combination 吉林大学 2024-05-14 — — CN disclosed
EP-3708680-B1 COMPOSITIONS AND METHODS FOR XI CHROMOSOME REACTIVATION UNIV MASSACHUSETTS (US) 2023-07-26 — — EP disclosed
US-20220259654-A1 COMPOSITIONS AND METHODS FOR XI CHROMOSOME REACTIVATION UNIVERSITY OF MASSACHUSETTS (US) 2022-08-18 — — US disclosed
US-10980835-B2 Arsenic trioxide for treatment of PIN1-associated disorders BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-04-20 — — US disclosed
US-10548864-B2 Enhanced ATRA-related compounds for the treatment of proliferative diseases, autoimmune diseases, and addiction conditions BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2020-02-04 — — US disclosed
US-10265288-B2 Methods and compositions for the treatment of proliferative disorders BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2019-04-23 — — US disclosed
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-07 — — US disclosed
US-20180064666-A1 ENHANCED ATRA-RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, AUTOIMMUNE DISEASES, AND ADDICTION CONDITIONS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2018-03-08 — — US disclosed
US-20170112792-A1 ENHANCED ATRA-RELATED COMPOUNDS DERIVED FROM STRUCTURE-ACTIVITY RELATIONSHIPS AND MODELING FOR INHIBITING PIN1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2017-04-27 — — US disclosed
US-20150044278-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2015-02-12 — — US disclosed
US-20140086909-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2014-03-27 — — US disclosed
WO-2012125724-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2012-09-20 — — 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 (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-10980835-B2 Arsenic trioxide for treatment of PIN1-associated disorders PIN1, AS3MT, PML ALDH1A1 2657/4885CYP3A4 4452/4885ALOX15 2577/4885
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS PIN1, AS3MT, PML ALDH1A1 2657/4885CYP3A4 4452/4885ALOX15 2577/4885
US-12590288-B2 Method of treating an inflammatory disease by administering an agent which binds a surface receptor on a tuft cell that induces an ILC class 2 inflammatory response GPR3, GALR3, NR4A3 ALDH1A1 3078/4885CYP3A4 4726/4885ALOX15 1994/4885
US-10548864-B2 Enhanced ATRA-related compounds for the treatment of proliferative diseases, autoimmune diseases, and addiction conditions PIN1, RARB, RARA ALDH1A1 1735/4885CYP3A4 3907/4885ALOX15 3630/4885
US-20180064666-A1 ENHANCED ATRA-RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, AUTOIMMUNE DISEASES, AND ADDICTION CONDITIONS PIN1, RARB, RARA ALDH1A1 1735/4885CYP3A4 3907/4885ALOX15 3630/4885

“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.

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