SCHEMBL565321

SCHEMBL565321

COc1ccc(I)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.51
RARB P10826 3/20 0.51
RARG P13631 3/20 0.51
LMNA P02545 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 2/20 0.51
NR1I2 O75469 1/20 0.51
PGR P06401 1/20 0.51
HSPD1 P10809 1/20 0.51
GOT1 P17174 1/20 0.51
GLRA1 P23415 1/20 0.51
BLM P54132 1/20 0.51
HSPE1 P61604 1/20 0.51
HDAC11 Q96DB2 2/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL8796037 0.87 RARA (0.42) RARARARBRARGLMNAKMT2A
SCHEMBL641031 0.83 RARB (0.67) RARARARBRARGLMNAKMT2A
SCHEMBL566710 0.83 HDAC11 (0.41) RARARARBRARGLMNAKMT2A
SCHEMBL10014917 0.82 RARA (0.52) RARARARBRARGLMNAKMT2A
SCHEMBL24259971 0.81 RARA (0.36) RARARARBRARGLMNAKMT2A
SCHEMBL8426196 0.81 RARA (0.54) RARARARBRARGLMNAKMT2A
SCHEMBL3690283 0.81 KMT2A (0.51) RARARARBRARGLMNAKMT2A
SCHEMBL8424855 0.81 RARA (0.54) RARARARBRARGLMNAKMT2A
SCHEMBL4748049 0.81 KMT2A (0.51) RARARARBRARGLMNAKMT2A
SCHEMBL8520331 0.81 RARA (0.51) RARARARBRARGLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4083029-A1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE University of Washington through its Center for Commercialization (US) 2022-11-02 EP disclosed
EP-3044216-B1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-23 EP disclosed
US-9963439-B2 Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-05-08 US disclosed
US-9963439-B2 Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-05-08 US disclosed
EP-3044216-A2 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE University of Washington through its Center for Commercialization (US) 2016-07-20 EP disclosed
US-20160200703-A1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE UNIVERSITY OF MONTANA (US) 2016-07-14 US disclosed
US-20160200703-A1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE UNIVERSITY OF MONTANA (US) 2016-07-14 US disclosed
US-20160200703-A1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE UNIVERSITY OF MONTANA (US) 2016-07-14 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
WO-2015026990-A2 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROLASE UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2015-02-26 WO disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 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 (2 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-20160200703-A1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE CYP2B6, CYP26A1, CYP2A6 RARA 37/4885RARB 30/4885RARG 36/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 RARA 4192/4885RARB 3838/4885RARG 4003/4885

“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.