SCHEMBL19342918

SCHEMBL19342918

COC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3(C)C)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 11/20 0.58
▸ RARG P13631 11/20 0.58
▸ RARA P10276 8/20 0.58
▸ CYP3A4 P08684 7/20 0.58
▸ CYP26A1 O43174 6/20 0.58
▸ CRABP2 P29373 1/20 0.58
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ XDH P47989 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ RXRA P19793 6/20 0.41
▸ RXRB P28702 5/20 0.41
▸ RXRG P48443 4/20 0.41
▸ CYP26B1 Q9NR63 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL19342942 0.88 RARB (0.55) RARBRARGRARACYP3A4CYP26A1
SCHEMBL24410760 0.87 RARG (0.57) RARBRARGRARACYP3A4CYP26A1
SCHEMBL19342895 0.85 RARB (0.55) RARBRARGRARACYP3A4CYP26A1
SCHEMBL24411011 0.84 RARG (0.54) RARBRARGRARACYP3A4CYP26A1
SCHEMBL19342969 0.81 RARB (0.56) RARBRARGRARACYP3A4CYP26A1
SCHEMBL2788640 0.79 CYP3A4 (0.70) RARBRARGRARACYP3A4CYP26A1
SCHEMBL19342945 0.78 RARG (0.56) RARBRARGRARACYP3A4CYP26A1
SCHEMBL6881730 0.77 RARB (0.55) RARBRARGRARACYP3A4CYP26A1
SCHEMBL20636865 0.76 RARB (0.41) RARBRARGRARACYP3A4CYP26A1
SCHEMBL6879128 0.76 CYP26A1 (0.54) RARBRARGRARACYP3A4CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107176945-B Retinoid compound, preparation method, intermediate and application thereof 中国科学院上海有机化学研究所 2021-06-08 — — CN disclosed
US-20200216407-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-09 — — US disclosed
US-20200216407-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-09 — — US disclosed
US-10556879-B2 Retinoid compound, preparation method therefor, intermediates thereof and application thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADMENY OF SCIENCES (CN) 2020-02-11 — — US disclosed
US-10556879-B2 Retinoid compound, preparation method therefor, intermediates thereof and application thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADMENY OF SCIENCES (CN) 2020-02-11 — — US disclosed
US-20190092744-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2019-03-28 — — US disclosed
US-20190092744-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2019-03-28 — — US disclosed
EP-3428155-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2019-01-16 — — EP disclosed
EP-3428155-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2019-01-16 — — EP disclosed
WO-2017152725-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2017-09-14 — — 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 (3 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-20190092744-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF RARA, RARB, RARG RARB 2/4885RARG 3/4885RARA 1/4885
US-10556879-B2 Retinoid compound, preparation method therefor, intermediates thereof and application thereof RARA, RARB, RARG RARB 2/4885RARG 3/4885RARA 1/4885
US-20200216407-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF RARA, RARB, RARG RARB 2/4885RARG 3/4885RARA 1/4885

“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.

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