SCHEMBL19251649

SCHEMBL19251649

CC1(C)CCC(C)(C)c2c(O)cc(C#Cc3ccc(C(=O)O)c(O)c3)cc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.53
RARG P13631 10/20 0.53
RARA P10276 8/20 0.53
CYP26A1 O43174 2/20 0.53
CYP3A4 P08684 2/20 0.53
CRABP2 P29373 1/20 0.53
RXRA P19793 2/20 0.44
HNF4A P41235 3/20 0.41
CA12 O43570 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL19342932 0.88 RARB (0.68) RARBRARGRARACYP26A1CYP3A4
SCHEMBL4946746 0.79 RARB (0.43) RARBRARGRARACYP26A1CYP3A4
SCHEMBL19342986 0.79 RARB (0.62) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6378170 0.78 RARB (0.52) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6340282 0.78 RARB (0.41) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7751295 0.77 RARB (0.51) RARBRARGRARACYP26A1CYP3A4
SCHEMBL2912775 0.77 RARB (0.51) RARBRARGRARACYP26A1CYP3A4
SCHEMBL15524271 0.77 HNF4A (0.61) CYP3A4HNF4ACA12ALDH1A1CA1
SCHEMBL6260318 0.76 RARB (0.50) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1991598 0.76 RARB (0.50) RARBRARGRARACYP26A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355067-A1 NOVEL BIAROMATIC PROPYNYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF GALDERMA RESEARCH & DEVELOPEMENT (FR) 2021-11-18 US disclosed
US-10995052-B2 Biaromatic propynyl compounds, pharmaceutical and cosmetic compositions containing same, and uses thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2021-05-04 US disclosed
US-10377694-B2 Bi-aromatic propynyl compounds, pharmaceutical and cosmetic compositions containing them and uses thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-08-13 US disclosed
US-20180079707-A1 NEW BI-AROMATIC PROPYNYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM AND USES THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-03-22 US disclosed
US-20180079707-A1 NEW BI-AROMATIC PROPYNYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM AND USES THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-03-22 US disclosed
WO-2017134513-A1 NOVEL BIAROMATIC PROPYNYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-08-10 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-10995052-B2 Biaromatic propynyl compounds, pharmaceutical and cosmetic compositions containing same, and uses thereof TYR, MITF, PAOX RARB 1278/4885RARG 909/4885RARA 974/4885
US-20180079707-A1 NEW BI-AROMATIC PROPYNYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM AND USES THEREOF TYR, MITF, PAH RARB 431/4885RARG 432/4885RARA 406/4885
US-20210355067-A1 NOVEL BIAROMATIC PROPYNYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF MITF, TYR, PAOX RARB 1410/4885RARG 1171/4885RARA 1162/4885
US-10377694-B2 Bi-aromatic propynyl compounds, pharmaceutical and cosmetic compositions containing them and uses thereof TYR, MITF, PAH RARB 510/4885RARG 506/4885RARA 477/4885

“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.