SCHEMBL17049072

SCHEMBL17049072

COC(=O)c1cnc(Nc2ccc3c(c2)C(C)(C)CCC3(C)C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.46
CYP26A1 O43174 7/20 0.44
RARA P10276 4/20 0.44
RARB P10826 4/20 0.44
RARG P13631 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
TBXA2R P21731 1/20 0.44
BLVRB P30043 1/20 0.44
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 2/20 0.41
RXRA P19793 6/20 0.41
RXRB P28702 5/20 0.41

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
SCHEMBL17049073 0.84 CYP3A4 (0.54) CYP3A4CYP26A1RARARARBRARG
SCHEMBL17049080 0.80 CYP3A4 (0.52) CYP3A4CYP26A1RARARARBRARG
SCHEMBL17049096 0.80 RXRA (0.42) CYP3A4CYP26A1RARARARBRARG
SCHEMBL9120996 0.79 RARA (0.61) CYP3A4CYP26A1RARARARBRARG
SCHEMBL14800006 0.78 KMO (0.51) CYP3A4MEN1KMT2AMAPK1ALDH1A1
SCHEMBL17049087 0.78 CYP3A4 (0.61) CYP3A4CYP26A1RARARARBRARG
SCHEMBL9118094 0.77 RARA (0.59) CYP3A4CYP26A1RARARARBRARG
SCHEMBL22845650 0.76 RARB (0.61) CYP3A4CYP26A1RARARARBRARG
SCHEMBL19342933 0.75 CYP3A4 (0.52) CYP3A4CYP26A1RARARARBRARG
SCHEMBL19342977 0.74 CYP3A4 (0.54) CYP3A4CYP26A1RARARARBRARG

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-10238655-B2 Dihydroindene and tetrahydronaphthalene compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-03-26 US disclosed
US-20180207156-A1 DIHYDROINDENE AND TETRAHYDRONAPHTHALENE COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-07-26 US disclosed
US-10005741-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-06-26 US disclosed
US-10005741-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-06-26 US disclosed
US-20180141921-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-05-24 US disclosed
US-20180141921-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-05-24 US disclosed
US-9908856-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-06 US disclosed
US-9908856-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-06 US disclosed
US-20170008859-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-01-12 US disclosed
US-20170008859-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-01-12 US disclosed
WO-2015130973-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-09-03 WO disclosed
WO-2015130973-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-09-03 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 (5 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-20170008859-A1 THERAPEUTIC COMPOUNDS IAPP, PARK7, NLN CYP3A4 3854/4885CYP26A1 3205/4885RARA 631/4885
US-20180207156-A1 DIHYDROINDENE AND TETRAHYDRONAPHTHALENE COMPOUNDS DHPS, DHODH, APP CYP3A4 757/4885CYP26A1 444/4885RARA 2849/4885
US-20180141921-A1 THERAPEUTIC COMPOUNDS IAPP, PARK7, NLN CYP3A4 3854/4885CYP26A1 3205/4885RARA 631/4885
US-10005741-B2 Therapeutic compounds IAPP, PARK7, NLN CYP3A4 3854/4885CYP26A1 3205/4885RARA 631/4885
US-10238655-B2 Dihydroindene and tetrahydronaphthalene compounds DHPS, DHODH, APP CYP3A4 757/4885CYP26A1 444/4885RARA 2849/4885

“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.