SCHEMBL7792677

SCHEMBL7792677

COc1c(C(C)(C)C)cc(CC(=O)O)cc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.49
TNFRSF1A P19438 2/20 0.46
THRB P10828 6/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
PTGS1 P23219 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
NFKB1 P19838 1/20 0.44
RXRA P19793 2/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
DHFR P00374 1/20 0.41
THRA P10827 5/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
PPARG P37231 1/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL7796152 0.91 NR1H4 (0.43) NR1H4TNFRSF1ATHRBGAAALDH1A1
SCHEMBL7796619 0.90 NR1H4 (0.45) NR1H4TNFRSF1ATHRBGAAALDH1A1
SCHEMBL7786485 0.89 NR1H4 (0.43) NR1H4TNFRSF1ATHRBGAAALDH1A1
SCHEMBL7786480 0.89 NR1H4 (0.44) NR1H4TNFRSF1ATHRBGAAALDH1A1
SCHEMBL7786486 0.85 THRB (0.45) NR1H4TNFRSF1ATHRBALDH1A1TSHR
SCHEMBL7786532 0.83 THRB (0.61) NR1H4THRBRXRARXRBRXRG
SCHEMBL7796603 0.83 GAA (0.45) TNFRSF1ATHRBGAARXRARXRB
SCHEMBL7786559 0.82 THRB (0.46) NR1H4THRBGAAALDH1A1TSHR
SCHEMBL5740247 0.81 TNFRSF1A (0.43) TNFRSF1AALDH1A1TSHRTDP1DHFR
SCHEMBL5736264 0.81 FFAR1 (0.53) NR1H4TNFRSF1AGAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009132453-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP 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-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1I NR1H4 2618/4885TNFRSF1A 4433/4885THRB 292/4885

“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.