SCHEMBL3751137

SCHEMBL3751137

COc1c(F)cccc1[C@H](C)C[C@@](O)(C=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.32
KRAS P01116 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PPARG P37231 1/20 0.31
MEP1B Q16820 1/20 0.30
CYP3A4 P08684 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL1261086 1.00 CTSS (0.32) CTSSKRASKMT2AMEN1PPARG
SCHEMBL3745087 1.00 CTSS (0.32) CTSSKRASKMT2AMEN1PPARG
SCHEMBL1261442 0.88 PPARG (0.32) CTSSKRASKMT2AMEN1PPARG
SCHEMBL1261398 0.86 HSD11B1 (0.33) CTSSKMT2AMEP1B
SCHEMBL1261732 0.85 CTSS (0.35) CTSSKRASKMT2AMEN1
SCHEMBL1261855 0.85 CTSS (0.35) CTSSKRASKMT2AMEN1
SCHEMBL3749545 0.85 CTSS (0.35) CTSSKRASKMT2AMEN1
SCHEMBL4572892 0.85 CTSS (0.35) CTSSKRASKMT2AMEN1
SCHEMBL1261096 0.83 CTSS (0.32) CTSS
SCHEMBL3540058 0.82 ERN1 (0.35) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS BERGER MARKUS 2010-11-25 US disclosed
EP-1994005-A1 TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-11-26 EP disclosed
US-20070225290-A1 Tetrahydronaphthalene derivates, processes for preparing them and their use as antiinflammatory agents BAYER SCHERING PHARMA AG (DE) 2007-09-27 US disclosed
WO-2007104582-A1 TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-20 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 (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-20070225290-A1 Tetrahydronaphthalene derivates, processes for preparing them and their use as antiinflammatory agents TNF, IL1B, DHPS CTSS 1392/4885KRAS 3248/4885KMT2A 4701/4885
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS TNF, IL1B, DHPS CTSS 1441/4885KRAS 3442/4885KMT2A 4694/4885

“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.