SCHEMBL6967423

SCHEMBL6967423

CC(C)(O)c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.43
CHRM3 P20309 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
TNKS O95271 4/20 0.37
PARP1 P09874 4/20 0.37
TNKS2 Q9H2K2 4/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PDE2A O00408 2/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37

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
SCHEMBL27902048 0.86 KCNN4 (0.43) KCNN4CHRM3HDAC3HDAC1HDAC2
SCHEMBL8257902 0.84 CASR (0.46) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL28091068 0.82 MEN1 (0.41) KCNN4CHRM3HDAC3HDAC1HDAC2
SCHEMBL15146360 0.82 HDAC1 (0.40) HDAC1HDAC6MEN1KMT2AAKR1C3
SCHEMBL3047260 0.82 ALDH1A1 (0.45) MEN1KMT2APDE2A
SCHEMBL15729280 0.82 CA3 (0.48) MEN1KMT2ATNKSPARP1TNKS2
SCHEMBL17030750 0.80 MEN1 (0.35) MEN1KMT2ATNKSPARP1TNKS2
SCHEMBL13130675 0.80 ALDH1A1 (0.34) HDAC3HDAC1HDAC2HDAC6AKR1C3
SCHEMBL8251209 0.80 ALOX15 (0.39) MEN1KMT2ATNKSPARP1TNKS2
SCHEMBL8280151 0.80 ALDH1A1 (0.46) KCNN4HDAC1HDAC6MEN1KMT2A

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-9718817-B2 Aryl and heteroaryl ether compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-01 US disclosed
EP-3131880-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2017-02-22 EP disclosed
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-01-26 US disclosed
WO-2015159233-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-10-22 WO disclosed
US-6620815-B1 Selective antagonists for human alpha 1A receptors; benign prostatic hyperplasia, impotency, cardiac arrhythmia treatment; anticholesterol agents; intraocular pressure reduction SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-16 US disclosed
EP-0988295-A4 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2003-08-13 EP disclosed
US-6159990-A Oxazolidinones as α1A receptor antagonists SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed
EP-0988295-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-29 EP disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 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 (1 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-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC KCNN4 3969/4885CHRM3 193/4885HDAC3 264/4885

“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.