Isotretinoin Anisatil

Isotretinoin Anisatil

SCHEMBL4904949

COc1ccc(C(=O)COC(=O)/C=C(/C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C)cc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 5/20 0.59
ALDH1A1 P00352 10/20 0.59
MAPT P10636 7/20 0.59
CYP3A4 P08684 6/20 0.59
RXRA P19793 5/20 0.59
RARA P10276 4/20 0.59
RARB P10826 4/20 0.59
RARG P13631 4/20 0.59
PTGS1 P23219 4/20 0.59
HIF1A Q16665 4/20 0.59
HSD17B10 Q99714 4/20 0.59
MAPK1 P28482 3/20 0.59
BLM P54132 3/20 0.59
LMNA P02545 3/20 0.59
ALOX15 P16050 3/20 0.59
RXRB P28702 2/20 0.59
RXRG P48443 2/20 0.59
RORC P51449 2/20 0.59
ADORA3 P0DMS8 2/20 0.59
HTR2B P41595 2/20 0.59

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
Isotretinoin Anisatil SCHEMBL14161050 1.00 RBP4 (0.59) RBP4ALDH1A1MAPTCYP3A4RXRA
Isotretinoin Anisatil SCHEMBL8597493 1.00 RBP4 (0.59) RBP4ALDH1A1MAPTCYP3A4RXRA
Isotretinoin Anisatil SCHEMBL4784232 1.00 RBP4 (0.59) RBP4ALDH1A1MAPTCYP3A4RXRA
Isotretinoin Anisatil SCHEMBL8567772 1.00 RBP4 (0.59) RBP4ALDH1A1MAPTCYP3A4RXRA
SCHEMBL8984781 0.93 ALDH1A1 (0.59) RBP4ALDH1A1MAPTCYP3A4RXRA
SCHEMBL8984722 0.92 ALDH1A1 (0.64) RBP4ALDH1A1MAPTCYP3A4RXRA
SCHEMBL8984755 0.92 RBP4 (0.61) RBP4ALDH1A1MAPTCYP3A4RXRA
SCHEMBL8984824 0.91 ALDH1A1 (0.65) RBP4ALDH1A1MAPTCYP3A4RXRA
SCHEMBL8984703 0.90 ALDH1A1 (0.60) RBP4ALDH1A1MAPTCYP3A4RXRA
SCHEMBL342372 0.90 ALDH1A1 (0.65) RBP4ALDH1A1MAPTCYP3A4RXRA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005266-A1 TOPICAL COMPOSITIONS FOR TREATMENT OF SKIN CONDITIONS MOLECULAR DESIGN INTERNATIONAL, INC. 2015-01-01 US claimed
US-8912175-B1 Topical compositions for treatment of skin conditions MOLECULAR DESIGN INTERNATIONAL, INC. (US) 2014-12-16 US claimed
US-8865694-B2 Topical compositions for treatment of skin conditions MOLECULAR DESIGN INTERNATIONAL, INC. (US) 2014-10-21 US claimed
US-20140066414-A2 TOPICAL COMPOSITIONS FOR TREATMENT OF SKIN CONDITIONS MOLECULAR DESIGN INTERNATIONAL, INC. 2014-03-06 US 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
EP-0448636-A1 DERMAL USES OF NON-IRRITATING RETINOIDS MOLECULAR DESIGN INTERNATIONAL, INC. (US) 1991-10-02 EP claimed
US-5049584-A Dermal uses of cis-retinoids for the treatment of cancer MOLECULAR DESIGN INTERNATIONAL (US) 1991-09-17 US claimed
WO-1990006751-A1 DERMAL USES OF NON-IRRITATING RETINOIDS MOLECULAR DESIGN INTERNATIONAL, INC. (US) 1990-06-28 WO claimed
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-5124356-A Topical application of esters and amides of retinoic acid MOLECULAR DESIGN INTERNATIONAL, INC. (US) 1992-06-23 US disclosed
EP-0448636-A4 DERMAL USES OF NON-IRRITATING RETINOIDS MOLECULAR DESIGN INT (US) 1992-01-22 EP disclosed
EP-0448636-A1 DERMAL USES OF NON-IRRITATING RETINOIDS MOLECULAR DESIGN INTERNATIONAL, INC. (US) 1991-10-02 EP disclosed
US-5049584-A Dermal uses of cis-retinoids for the treatment of cancer MOLECULAR DESIGN INTERNATIONAL (US) 1991-09-17 US disclosed
US-4994491-A Esters and amides of 13-cis and 13-trans retinoic acid MOLECULAR DESIGN INTERNATIONAL (US) 1991-02-19 US disclosed
WO-1990006751-A1 DERMAL USES OF NON-IRRITATING RETINOIDS MOLECULAR DESIGN INTERNATIONAL, INC. (US) 1990-06-28 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 (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 RBP4 13/4885ALDH1A1 281/4885MAPT 3408/4885
US-20130237505-A1 TOPICAL COMPOSITIONS FOR TREATMENT OF SKIN CONDITIONS RARA, RARB, CUTA RBP4 13/4885ALDH1A1 281/4885MAPT 3408/4885
US-20140066414-A2 TOPICAL COMPOSITIONS FOR TREATMENT OF SKIN CONDITIONS RARA, RARB, CUTA RBP4 13/4885ALDH1A1 281/4885MAPT 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 RBP4 30/4885ALDH1A1 165/4885MAPT 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.