SCHEMBL11769618

SCHEMBL11769618

CC(C=CCC(C)CCCC(C)(C)C)=CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ RXRA P19793 14/20 0.38
▸ RXRG P48443 11/20 0.37
▸ RXRB P28702 8/20 0.37
▸ RARA P10276 2/20 0.36
▸ RARB P10826 2/20 0.36
▸ RARG P13631 2/20 0.36
▸ KDM1A O60341 1/20 0.34
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL11769611 1.00 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4TDP1RXRA
SCHEMBL11860303 0.90 CYP3A4 (0.54) ALDH1A1LMNACYP3A4TDP1RXRA
SCHEMBL11860309 0.90 CYP3A4 (0.54) ALDH1A1LMNACYP3A4TDP1RXRA
SCHEMBL11811841 0.87 ALDH1A1 (0.52) ALDH1A1LMNACYP3A4TDP1RXRA
SCHEMBL11811846 0.87 ALDH1A1 (0.52) ALDH1A1LMNACYP3A4TDP1RXRA
SCHEMBL11758083 0.87 CYP3A4 (0.54) ALDH1A1LMNACYP3A4TDP1MEN1
SCHEMBL11758093 0.87 CYP3A4 (0.54) ALDH1A1LMNACYP3A4TDP1MEN1
SCHEMBL6448320 0.86 ALDH1A1 (0.75) ALDH1A1LMNACYP3A4TDP1RXRA
SCHEMBL3052148 0.86 ALDH1A1 (0.75) ALDH1A1LMNACYP3A4TDP1RXRA
SCHEMBL11500290 0.86 ALDH1A1 (0.75) ALDH1A1LMNACYP3A4TDP1RXRA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4021461-A INSECTICIDES ZOECON CORPORATION (US) 1977-05-03 — — US claimed
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
US-3981922-A INSECTICIDES ZOECON CORPORATION (US) 1976-09-21 — — 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 (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-10980835-B2 Arsenic trioxide for treatment of PIN1-associated disorders PIN1, AS3MT, PML ALDH1A1 2657/4885LMNA 3610/4885CYP3A4 4452/4885
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS PIN1, AS3MT, PML ALDH1A1 2657/4885LMNA 3610/4885CYP3A4 4452/4885
US-10548864-B2 Enhanced ATRA-related compounds for the treatment of proliferative diseases, autoimmune diseases, and addiction conditions PIN1, RARB, RARA ALDH1A1 1735/4885LMNA 4018/4885CYP3A4 3907/4885
US-20180064666-A1 ENHANCED ATRA-RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, AUTOIMMUNE DISEASES, AND ADDICTION CONDITIONS PIN1, RARB, RARA ALDH1A1 1735/4885LMNA 4018/4885CYP3A4 3907/4885

“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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