Alitretinoin

Alitretinoin

SCHEMBL5331051

CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC1.CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

RARARARBRARGRXRARXRBRXRG

The experimentally established mechanism targets of Alitretinoin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA known ✓ P19793 5/20 1.00
RARA known ✓ P10276 4/20 1.00
RARB known ✓ P10826 4/20 1.00
RARG known ✓ P13631 4/20 1.00
RXRB known ✓ P28702 2/20 1.00
RXRG known ✓ P48443 2/20 1.00
ALDH1A1 P00352 12/20 1.00
MAPT P10636 9/20 1.00
CYP3A4 P08684 6/20 1.00
PTGS1 P23219 4/20 1.00
APP P05067 4/20 1.00
SNCA P37840 4/20 1.00
MAPK1 P28482 3/20 1.00
ALOX15 P16050 3/20 1.00
RORC P51449 2/20 1.00
ADORA3 P0DMS8 2/20 1.00
HTR2B P41595 2/20 1.00
BLM P54132 2/20 1.00
HIF1A Q16665 2/20 1.00
DRD3 P35462 2/20 1.00

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
Tretinoin SCHEMBL3146 1.00 ALDH1A1 (1.00) ALDH1A1MAPTCYP3A4RXRARARA
Isotretinoin SCHEMBL9123793 1.00 ALDH1A1 (1.00) ALDH1A1MAPTCYP3A4RXRARARA
Tretinoin SCHEMBL8399912 1.00 ALDH1A1 (1.00) ALDH1A1MAPTCYP3A4RXRARARA
Tretinoin SCHEMBL7846921 1.00 ALDH1A1 (1.00) ALDH1A1MAPTCYP3A4RXRARARA
Tretinoin SCHEMBL24982760 1.00 ALDH1A1 (1.00) ALDH1A1MAPTCYP3A4RXRARARA
Isotretinoin SCHEMBL38299 1.00 ALDH1A1 (1.00) ALDH1A1MAPTCYP3A4RXRARARA
Tretinoin SCHEMBL24982761 1.00 ALDH1A1 (1.00) ALDH1A1MAPTCYP3A4RXRARARA
Tretinoin SCHEMBL18667 1.00 ALDH1A1 (1.00) ALDH1A1MAPTCYP3A4RXRARARA
Isotretinoin SCHEMBL20603086 1.00 ALDH1A1 (1.00) ALDH1A1MAPTCYP3A4RXRARARA
Tretinoin SCHEMBL445176 1.00 ALDH1A1 (1.00) ALDH1A1MAPTCYP3A4RXRARARA

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
WO-2007149103-A2 VASCULAR TISSUE ENHANCEMENT AND SELECTIVE DESTRUCTION OF CANCEROUS CELLULAR TISSUE KAISER DANIEL E (US) 2007-12-27 WO claimed
EP-3675838-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS Puretecch LYT, Inc. (US) 2020-07-08 EP disclosed
EP-3534905-A1 SMALL MOLECULE DUAL INHIBITORS OF EGFR/PI3K AND USES THEREOF The Regents of The University of Michigan (US) 2019-09-11 EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed
EP-3137052-B1 TREATMENT OR PREVENTION OF SEBORRHEIC KERATOSIS USING ARTEMISININ AND DERIVATIVES THEREOF EPIPHARM AG (CH) 2018-08-29 EP disclosed
US-9907782-B2 Treatment or prevention of seborrheic keratosis using artemisinin and derivatives thereof EPIPHARM AG (CH) 2018-03-06 US disclosed
EP-3137052-A1 TREATMENT OR PREVENTION OF SEBORRHEIC KERATOSIS USING ARTEMISININ AND DERIVATIVES THEREOF EpiPharm AG (CH) 2017-03-08 EP disclosed
US-20170035727-A1 TREATMENT OR PREVENTION OF SEBORRHEIC KERATOSIS USING ARTEMISININ AND DERIVATIVES THEREOF EPIPHARM AG (CH) 2017-02-09 US disclosed
WO-2015165856-A1 TREATMENT OR PREVENTION OF SEBORRHEIC KERATOSIS USING ARTEMISININ AND DERIVATIVES THEREOF EPIPHARM AG (CH) 2015-11-05 WO disclosed
EP-2922572-A1 USE OF SMALL MOLECULE INHIBITORS/ACTIVATORS IN COMBINATION WITH (DEOXY)NUCLEOSIDE OR (DEOXY)NUCLEOTIDE ANALOGS FOR TREATMENT OF CANCER AND HEMATOLOGICAL MALIGNANCIES OR VIRAL INFECTIONS AB Science (FR) 2015-09-30 EP disclosed
WO-2014079709-A1 USE OF SMALL MOLECULE INHIBITORS/ACTIVATORS IN COMBINATION WITH (DEOXY)NUCLEOSIDE OR (DEOXY)NUCLEOTIDE ANALOGS FOR TREATMENT OF CANCER AND HEMATOLOGICAL MALIGNANCIES OR VIRAL INFECTIONS AB SCIENCE (FR) 2014-05-30 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 (1 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-20170035727-A1 TREATMENT OR PREVENTION OF SEBORRHEIC KERATOSIS USING ARTEMISININ AND DERIVATIVES THEREOF SQLE, CYP51A1, KRT18 RXRA 1356/4885RARA 251/4885RARB 507/4885

“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.