SCHEMBL6893902

SCHEMBL6893902

CCC(C)(C)Cc1cc[c]cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.34
ESR2 Q92731 1/20 0.34
SLC6A2 P23975 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
HRH1 P35367 1/20 0.30
HTR2B P41595 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 1/20 0.30
LMNA P02545 1/20 0.30
CYP2D6 P10635 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
SCHEMBL12982203 0.83 ESR1 (0.38) ESR1ESR2SLC6A2TAAR1
SCHEMBL4430003 0.80 MEN1 (0.46) ESR1ESR2SLC6A2TAAR1LMNA
SCHEMBL23005 0.78 ESR1 (0.52) ESR1ESR2SLC6A2TAAR1HTR2A
SCHEMBL9876711 0.77 TRPA1 (0.32)
SCHEMBL28040853 0.76 ESR1 (0.50) ESR1ESR2SLC6A2TAAR1HTR2A
SCHEMBL4352224 0.76 SLC6A2 (0.56) SLC6A2TAAR1LMNACYP2D6
SCHEMBL14350828 0.76 TP53 (0.42) ESR1ESR2SLC6A2TAAR1HTR2A
SCHEMBL12981330 0.75
SCHEMBL1031401 0.74 ESR1 (0.38) ESR1ESR2SLC6A2TAAR1HTR2A
SCHEMBL19243711 0.74 ESR1 (0.39) ESR1ESR2SLC6A2TAAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP claimed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US claimed
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US disclosed
EP-0888262-B1 CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES BASF AG (DE) 2004-06-02 EP disclosed
CN-1140485-C Cycloalkyl derivatives and solid-phase synthesis thereof BASF 2004-03-03 CN disclosed
CN-1131233-C Carbohydrate derivatives and their solid-phase synthesis BASF AG (DE) 2003-12-17 CN disclosed
US-6521780-B1 Cycloalkylmalonic ester derivatives as potential active substances in the drugs and crop protection; combinatorial chemistry BASF AKTIENGESELLSCHAFT (DE) 2003-02-18 US disclosed
EP-0906324-B1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AG (DE) 2001-08-01 EP disclosed
US-6242583-B1 COUPLING CARBOHYDRATE COMPOUNDS IN PRESENCE OF PROMOTER TO A FUNCTIONALIZED SOLID SUPPORT BASF AKTIENGESELLSCHAFT (DE) 2001-06-05 US disclosed
CN-1219937-A Carbohydrate derivatives and their solid-phase synthesis BASF AG (DE) 1999-06-16 CN disclosed
CN-1218448-A Cycloalkyl derivatives and solid-phase synthesis thereof BASF AG (DE) 1999-06-02 CN disclosed
EP-0888262-A1 CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997034852-A1 CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-09-25 WO disclosed
US-4713186-A PHOSPHATE AND GRAPHITE OR INTERCALATION COMPOUND LONZA LTD. (CH) 1987-12-15 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 (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-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR ESR1 4791/4885ESR2 4671/4885SLC6A2 423/4885

“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.