SCHEMBL4901974

SCHEMBL4901974

CCCCCCCCCC(=O)OCC(=O)COC(=O)C=C(C)C=C/C=C(/C)C=CC1=C(C)CCCC1(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.74
ADORA3 P0DMS8 3/20 0.74
MAPT P10636 7/20 0.58
CYP3A4 P08684 6/20 0.58
RXRA P19793 5/20 0.58
RARA P10276 4/20 0.58
RARB P10826 4/20 0.58
RARG P13631 4/20 0.58
PTGS1 P23219 4/20 0.58
APP P05067 4/20 0.58
SNCA P37840 4/20 0.58
MAPK1 P28482 3/20 0.58
ALOX15 P16050 3/20 0.58
RXRB P28702 2/20 0.58
RXRG P48443 2/20 0.58
RORC P51449 2/20 0.58
HTR2B P41595 2/20 0.58
BLM P54132 2/20 0.58
HIF1A Q16665 2/20 0.58
HSD17B10 Q99714 2/20 0.58

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
SCHEMBL2549 1.00 ALDH1A1 (0.74) ALDH1A1ADORA3MAPTCYP3A4RXRA
SCHEMBL8627906 1.00 ALDH1A1 (0.74) ALDH1A1ADORA3MAPTCYP3A4RXRA
SCHEMBL8648149 0.89 ALDH1A1 (0.72) ALDH1A1ADORA3MAPTCYP3A4RXRA
SCHEMBL342021 0.89 ALDH1A1 (0.72) ALDH1A1ADORA3MAPTCYP3A4RXRA
SCHEMBL4898397 0.89 ALDH1A1 (0.72) ALDH1A1ADORA3MAPTCYP3A4RXRA
SCHEMBL2005744 0.89 ALDH1A1 (0.74) ALDH1A1ADORA3MAPTCYP3A4RXRA
SCHEMBL2011547 0.89 ALDH1A1 (0.74) ALDH1A1ADORA3MAPTCYP3A4RXRA
SCHEMBL2008326 0.89 ALDH1A1 (0.74) ALDH1A1ADORA3MAPTCYP3A4RXRA
SCHEMBL1695153 0.89 ALDH1A1 (0.74) ALDH1A1ADORA3MAPTCYP3A4RXRA
SCHEMBL3422972 0.89 ALDH1A1 (0.74) ALDH1A1ADORA3MAPTCYP3A4RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016130816-A1 INHIBITORS OF MYELOID LEUKEMIA CELL GROWTH AND RELATED METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-08-18 WO claimed
US-20130237505-A1 TOPICAL COMPOSITIONS FOR TREATMENT OF SKIN CONDITIONS CONCERT, LLC (US) 2013-09-12 US claimed
US-20080139518-A1 Synergistic effect attributable to combination of a retinoid component and a salicylic acid component; combination of the two active ingredients provided a greater overall anti-acne effect than a treatment comprising benzoyl peroxide CONCERT, LLC 2008-06-12 US claimed
US-5837728-A ACNE AND OTHER SKIN DISORDERS; ANTIAGING, ANTIWRINKLING AND WOUND HEALING AGENTS; SIDE EFFECT REDUCTION MOLECULAR DESIGN INTERNATIONAL (US) 1998-11-17 US claimed
WO-1997032839-A9 9-CIS-RETINOIC ACID ESTERS AND AMIDES AND USES THEREOF 1998-07-16 WO claimed
WO-2016130816-A1 INHIBITORS OF MYELOID LEUKEMIA CELL GROWTH AND RELATED METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-08-18 WO disclosed
US-20150005266-A1 TOPICAL COMPOSITIONS FOR TREATMENT OF SKIN CONDITIONS MOLECULAR DESIGN INTERNATIONAL, INC. 2015-01-01 US disclosed
US-8912175-B1 Topical compositions for treatment of skin conditions MOLECULAR DESIGN INTERNATIONAL, INC. (US) 2014-12-16 US disclosed
US-8865694-B2 Topical compositions for treatment of skin conditions MOLECULAR DESIGN INTERNATIONAL, INC. (US) 2014-10-21 US disclosed
US-20140066414-A2 TOPICAL COMPOSITIONS FOR TREATMENT OF SKIN CONDITIONS MOLECULAR DESIGN INTERNATIONAL, INC. 2014-03-06 US disclosed
US-20130237505-A1 TOPICAL COMPOSITIONS FOR TREATMENT OF SKIN CONDITIONS CONCERT, LLC (US) 2013-09-12 US disclosed
US-20080139518-A1 Synergistic effect attributable to combination of a retinoid component and a salicylic acid component; combination of the two active ingredients provided a greater overall anti-acne effect than a treatment comprising benzoyl peroxide CONCERT, LLC 2008-06-12 US disclosed
US-5837728-A ACNE AND OTHER SKIN DISORDERS; ANTIAGING, ANTIWRINKLING AND WOUND HEALING AGENTS; SIDE EFFECT REDUCTION MOLECULAR DESIGN INTERNATIONAL (US) 1998-11-17 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-20150005266-A1 TOPICAL COMPOSITIONS FOR TREATMENT OF SKIN CONDITIONS RARA, RARB, CUTA ALDH1A1 281/4885ADORA3 487/4885MAPT 3408/4885
US-20130237505-A1 TOPICAL COMPOSITIONS FOR TREATMENT OF SKIN CONDITIONS RARA, RARB, CUTA ALDH1A1 281/4885ADORA3 487/4885MAPT 3408/4885
US-20140066414-A2 TOPICAL COMPOSITIONS FOR TREATMENT OF SKIN CONDITIONS RARA, RARB, CUTA ALDH1A1 281/4885ADORA3 487/4885MAPT 3408/4885
US-20080139518-A1 Synergistic effect attributable to combination of a retinoid component and a salicylic acid component; combination of the two active ingredients provided a greater overall anti-acne effect than a treatment comprising benzoyl peroxide RARA, RARB, CHUK ALDH1A1 165/4885ADORA3 823/4885MAPT 4791/4885

“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.