SCHEMBL8776535

SCHEMBL8776535

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
CYP3A4 P08684 5/20 0.57
APP P05067 4/20 0.57
SNCA P37840 4/20 0.57
ALOX15 P16050 3/20 0.57
TSHR P16473 2/20 0.57
TP53 P04637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
NR2E1 Q9Y466 1/20 0.57
CYP1A2 P05177 2/20 0.57
PTGS1 P23219 4/20 0.51
LMNA P02545 2/20 0.51
DRD3 P35462 2/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
HAO1 Q9UJM8 1/20 0.49
MAPT P10636 6/20 0.48
RXRA P19793 5/20 0.48
RARA P10276 5/20 0.48
RARB P10826 5/20 0.48

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
SCHEMBL8462052 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL8458864 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL19652484 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL8950124 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL19652488 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL8460696 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL8950189 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL9117657 0.93 ALDH1A1 (0.60) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL7694175 0.93 ALDH1A1 (0.60) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL21959207 0.85 ALDH1A1 (0.50) ALDH1A1CYP3A4APPSNCAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11013700-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2021-05-25 US disclosed
US-11013700-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2021-05-25 US disclosed
US-20200129453-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2020-04-30 US disclosed
US-10363231-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-07-30 US disclosed
US-10363231-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-07-30 US disclosed
US-20170340581-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2017-11-30 US disclosed
US-20170340581-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2017-11-30 US disclosed
US-20170340581-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2017-11-30 US disclosed
WO-2016085939-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2016-06-02 WO disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 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-20200129453-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, ADH1B, ADCYAP1R1 ALDH1A1 203/4885CYP3A4 2222/4885APP 2952/4885
US-20170340581-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, ADH1B, ADCYAP1R1 ALDH1A1 198/4885CYP3A4 2268/4885APP 2903/4885
US-10363231-B2 Compounds and methods of treating ocular disorders ALDH1A2, ADH1B, ADCYAP1R1 ALDH1A1 198/4885CYP3A4 2268/4885APP 2903/4885
US-11013700-B2 Compounds and methods of treating ocular disorders ALDH1A2, ADH1B, ADCYAP1R1 ALDH1A1 203/4885CYP3A4 2222/4885APP 2952/4885

“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.