SCHEMBL3255

SCHEMBL3255

CC(C=CC1=C(C)CCCC1(C)C)=CC=C/C(C)=C\C(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.67
MAPT P10636 8/20 0.67
CYP3A4 P08684 7/20 0.67
RXRA P19793 5/20 0.67
RARA P10276 4/20 0.67
RARB P10826 4/20 0.67
RARG P13631 4/20 0.67
PTGS1 P23219 4/20 0.67
MAPK1 P28482 4/20 0.67
APP P05067 4/20 0.67
SNCA P37840 4/20 0.67
ALOX15 P16050 4/20 0.67
BLM P54132 3/20 0.67
HIF1A Q16665 3/20 0.67
HSD17B10 Q99714 3/20 0.67
LMNA P02545 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
RXRB P28702 2/20 0.67
RXRG P48443 2/20 0.67

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
SCHEMBL5182511 1.00 ALDH1A1 (0.67) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL4903545 1.00 ALDH1A1 (0.67) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL3643432 0.90 ALDH1A1 (0.72) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL6424110 0.89 ALDH1A1 (0.71) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL3643434 0.89 ALDH1A1 (0.74) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL14164136 0.88 ALDH1A1 (0.67) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL21427636 0.88 ALDH1A1 (0.67) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL13124361 0.88 ALDH1A1 (0.67) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL14161069 0.88 ALDH1A1 (0.67) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL14300778 0.88 ALDH1A1 (0.67) 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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3663295-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL ELI LILLY AND CO. (US) 2020-06-10 EP disclosed
EP-3184527-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL LILLY CO ELI (US) 2020-01-29 EP disclosed
US-10351567-B2 Methods and compositions for treating pain ELI LILLY AND COMPANY (US) 2019-07-16 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2018-04-05 US disclosed
US-20180051020-A1 COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO TRPA1 HYDRA BIOSCIENCES INC (US) 2018-02-22 US disclosed
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
US-20170020858-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC (US) 2017-01-26 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
EP-0365519-A1 TOPICAL PRODRUGS FOR TREATMENT OF ACNE AND SKIN DISEASES. MOLECULAR DESIGN INT (US) 1990-05-02 EP disclosed
WO-1988009788-A1 TOPICAL PRODRUGS FOR TREATMENT OF ACNE AND SKIN DISEASES MOLECULAR DESIGN INTERNATIONAL, INC. (US) 1988-12-15 WO disclosed
US-4677120-A Topical prodrugs for treatment of acne and skin diseases MOLECULAR DESIGN INTERNATIONAL (US) 1987-06-30 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 (7 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-20180051020-A1 COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO TRPA1 TRPA1, TRPV1, TRPV2 ALDH1A1 928/4885MAPT 606/4885CYP3A4 2908/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ALDH1A1 968/4885MAPT 568/4885CYP3A4 2805/4885
US-10351567-B2 Methods and compositions for treating pain ACHE, COL2A1, MMP8 ALDH1A1 540/4885MAPT 1311/4885CYP3A4 3970/4885
US-20130237505-A1 TOPICAL COMPOSITIONS FOR TREATMENT OF SKIN CONDITIONS RARA, RARB, CUTA ALDH1A1 281/4885MAPT 3408/4885CYP3A4 4320/4885
US-20170020858-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION TRPV3, TRPV1, TRPV4 ALDH1A1 3074/4885MAPT 1751/4885CYP3A4 3177/4885
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ALDH1A1 540/4885MAPT 1311/4885CYP3A4 3970/4885
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 165/4885MAPT 4791/4885CYP3A4 1812/4885

“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.