SCHEMBL8293245

SCHEMBL8293245

Cc1ccc2c(c1)C(C)(C)CCS2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARA P10276 8/20 0.47
RARB P10826 8/20 0.47
RARG P13631 8/20 0.47
RXRA P19793 2/20 0.47
CYP3A4 P08684 3/20 0.42
CYP26A1 O43174 1/20 0.42
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX2 P34913 1/20 0.35
SSTR5 P35346 1/20 0.35

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
SCHEMBL6668874 0.85 EPHX2 (0.39) RARARARBRARGRXRACYP3A4
SCHEMBL13461864 0.81 RARA (0.44) RARARARBRARGRXRACYP3A4
SCHEMBL669367 0.80 RARA (0.46) RARARARBRARGRXRACYP3A4
SCHEMBL9054284 0.80 RARA (0.46) RARARARBRARGRXRACYP3A4
SCHEMBL13708653 0.80 RARA (0.46) RARARARBRARGRXRACYP3A4
SCHEMBL9188112 0.80 RARA (0.49) RARARARBRARGRXRACYP3A4
SCHEMBL8081648 0.80 RARA (0.46) RARARARBRARGRXRACYP3A4
SCHEMBL13539021 0.79 CYP3A4 (0.42) RARARARBRARGRXRACYP3A4
Hydrochloric Acid SCHEMBL21750680 0.79 RARA (0.45) RARARARBRARGRXRACYP3A4
SCHEMBL19034088 0.79 RARB (0.62) RARARARBRARGRXRACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220393115-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-12-08 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
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
US-20170114019-A1 18-20 MEMBER BI-POLYCYCLIC COMPOUNDS HARO PHARMACEUTICAL INC. 2017-04-27 US disclosed
WO-2015188015-A1 18-20 MEMBER BI-POLYCYCLIC COMPOUNDS HARO PHARMACEUTICAL INC. (US) 2015-12-10 WO disclosed
US-7923579-B2 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2011-04-12 US disclosed
EP-1692097-B1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS EXONHIT THERAPEUTICS SA (FR) 2009-09-02 EP disclosed
US-20070129368-A1 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2007-06-07 US disclosed
WO-2005058803-A1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS EXONHIT THERAPEUTICS SA (FR) 2005-06-30 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-20070129368-A1 Tricyclic hydroxamate and benzamide derivatives, compositions and methods HDAC5, HDAC1, HDAC2 RARA 1012/4885RARB 998/4885RARG 904/4885
US-20170114019-A1 18-20 MEMBER BI-POLYCYCLIC COMPOUNDS CKMT1A; CKMT1B, MYLK2, CPT1B RARA 1809/4885RARB 1026/4885RARG 845/4885
US-20220393115-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF LEF1, L1CAM, PIEZO1 RARA 1886/4885RARB 2555/4885RARG 2659/4885

“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.