SCHEMBL7097334

SCHEMBL7097334

COc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
PGR P06401 1/20 0.44
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1H2 P55055 4/20 0.42
NR1H3 Q13133 4/20 0.42
GCK P35557 1/20 0.42
GCKR Q14397 1/20 0.42
HTT P42858 1/20 0.41
MLYCD O95822 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
APP P05067 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL17287105 0.84 PGR (0.47) CYP3A4TSHRHSD17B10PGRMEN1
SCHEMBL4184680 0.83 SMN1; SMN2 (0.41) TSHRHSD17B10SMN1; SMN2PGRMEN1
SCHEMBL5355009 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL13974436 0.82 SMN1; SMN2 (0.41) TSHRHSD17B10SMN1; SMN2PGRMEN1
SCHEMBL568623 0.82 L3MBTL1 (0.56) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL29811663 0.82 L3MBTL1 (0.56) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL11286501 0.81 PGR (0.45) TSHRHSD17B10PGRMEN1ALOX15
SCHEMBL17416735 0.80 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL17711284 0.79 PGR (0.44) TSHRHSD17B10PGRMEN1ALOX15
SCHEMBL13860541 0.79 PGR (0.47) TSHRHSD17B10PGRMEN1ALOX15

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-20240245633-A1 ROR Gamma Agonists as Enhancers of Protective Immunity UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-07-25 US disclosed
US-9586928-B2 Modulators of the nuclear hormone receptor ROR THE SCRIPPS RESEARCH INSTITUTE (US) 2017-03-07 US disclosed
US-9586928-B2 Modulators of the nuclear hormone receptor ROR THE SCRIPPS RESEARCH INSTITUTE (US) 2017-03-07 US disclosed
US-9586928-B2 Modulators of the nuclear hormone receptor ROR THE SCRIPPS RESEARCH INSTITUTE (US) 2017-03-07 US disclosed
US-20140187554-A1 MODULATORS OF THE NUCLEAR HORMONE RECEPTOR ROR THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-03 US disclosed
WO-2012158784-A2 MODULATORS OF THE NUCLEAR HORMONE RECEPTOR ROR KAMENECKA THEODORE MARK (US) 2012-11-22 WO disclosed
WO-2012158784-A2 MODULATORS OF THE NUCLEAR HORMONE RECEPTOR ROR KAMENECKA THEODORE MARK (US) 2012-11-22 WO disclosed
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO disclosed
US-4251534-A Antihypertensive polyfluorohydroxyisopropyl bicyclic and tricyclic carbostyrils E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-02-17 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-20240245633-A1 ROR Gamma Agonists as Enhancers of Protective Immunity RORC, RORB, RORA ALDH1A1 1575/4885CYP3A4 3353/4885TSHR 371/4885
US-20140187554-A1 MODULATORS OF THE NUCLEAR HORMONE RECEPTOR ROR RORB, RORA, RORC ALDH1A1 1704/4885CYP3A4 935/4885TSHR 59/4885

“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.