SCHEMBL11764072

SCHEMBL11764072

CC(C=CCCC(C)CCCCC(C)C)=CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.48
▸ BLM P54132 1/20 0.42
▸ LMNA P02545 2/20 0.39
▸ PTPN1 P18031 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ RXRA P19793 9/20 0.35
▸ ACE2 Q9BYF1 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33

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
SCHEMBL11764066 1.00 KDM1A (0.48) KDM1ABLMLMNAPTPN1ALDH1A1
SCHEMBL11759150 0.97 KDM1A (0.48) KDM1ABLMLMNAPTPN1ALDH1A1
SCHEMBL11759148 0.97 KDM1A (0.48) KDM1ABLMLMNAPTPN1ALDH1A1
SCHEMBL11761940 0.86 LMNA (0.38) KDM1ABLMLMNAPTPN1ALDH1A1
SCHEMBL11761936 0.86 LMNA (0.38) KDM1ABLMLMNAPTPN1ALDH1A1
SCHEMBL15609210 0.84 LMNA (0.47) KDM1ABLMLMNAPTPN1ALDH1A1
SCHEMBL925879 0.84 LMNA (0.47) KDM1ABLMLMNAPTPN1ALDH1A1
SCHEMBL11765380 0.84 LMNA (0.47) KDM1ABLMLMNAPTPN1ALDH1A1
SCHEMBL11765371 0.84 LMNA (0.47) KDM1ABLMLMNAPTPN1ALDH1A1
SCHEMBL11764966 0.84 LMNA (0.44) KDM1ABLMLMNAPTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2015143190-A1 ENHANCED ATRA-RELATED COMPOUNDS DERIVED FROM STRUCTURE-ACTIVITY RELATIONSHIPS AND MODELING FOR INHIBITING PIN1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2015-09-24 — — WO 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
US-4021461-A INSECTICIDES ZOECON CORPORATION (US) 1977-05-03 — — 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 KDM1A 3104/4885BLM 1579/4885LMNA 3610/4885
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS PIN1, AS3MT, PML KDM1A 3104/4885BLM 1579/4885LMNA 3610/4885
US-10548864-B2 Enhanced ATRA-related compounds for the treatment of proliferative diseases, autoimmune diseases, and addiction conditions PIN1, RARB, RARA KDM1A 2826/4885BLM 3292/4885LMNA 4018/4885
US-20180064666-A1 ENHANCED ATRA-RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, AUTOIMMUNE DISEASES, AND ADDICTION CONDITIONS PIN1, RARB, RARA KDM1A 2826/4885BLM 3292/4885LMNA 4018/4885

“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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