SCHEMBL584573

SCHEMBL584573

NC1Cc2ccc(Cc3cc(CO)cc(C(F)(F)F)c3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
FYN P06241 1/20 0.33
GRIA2 P42262 6/20 0.33
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32

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
SCHEMBL584574 1.00 RXRA (0.39) RXRARXRBRXRGSLC5A1SLC5A2
SCHEMBL27911346 0.82 TAAR1 (0.46)
SCHEMBL588412 0.82 RXRA (0.36) RXRARXRBRXRGSLC5A1SLC5A2
SCHEMBL27839629 0.81 DRD2 (0.40) RXRARXRBRXRG
SCHEMBL27839630 0.81 DRD2 (0.40) RXRARXRBRXRG
SCHEMBL11898474 0.81 RXRA (0.42) RXRARXRBRXRGGRIA2
SCHEMBL27857416 0.79 CA1 (0.36) SLC5A1SLC5A2CA1CA2CA12
SCHEMBL11898633 0.79 NOTUM (0.44) CA1CA2CA12CA7CA14
SCHEMBL7898428 0.79 NOTUM (0.44) CA1CA2CA12CA7CA14
SCHEMBL11898524 0.79 GRIA2 (0.56) GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633237-B2 Indane derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-21 US disclosed
EP-2417101-B1 INDANE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-10-23 EP disclosed
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 US disclosed
EP-2417101-A1 INDANE DERIVATIVES MSD Oss B.V. (NL) 2012-02-15 EP disclosed
WO-2010115952-A1 INDANE DERIVATIVES N.V. ORGANON (NL) 2010-10-14 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-20120202781-A1 INDANE DERIVATIVES CHRNA5, CHRNA2, GRIK5 RXRA 734/4885RXRB 762/4885RXRG 1298/4885

“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.