SCHEMBL6895502

SCHEMBL6895502

CCCC(CC)c1cc[c]cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
NR1I2 O75469 1/20 0.38
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GRIA4 P48058 1/20 0.31

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
SCHEMBL28394070 0.92 ESR1 (0.36) ESR1ESR2NR1I2ADRA2AADRA2B
SCHEMBL817069 0.91 ESR1 (0.42) ESR1ESR2GRIA4
SCHEMBL29288755 0.88 NR1I2 (0.46) ESR1ESR2NR1I2ADRA2AADRA2B
SCHEMBL816075 0.86 ADRA2A (0.42) ESR1ESR2NR1I2ADRA2AADRA2B
SCHEMBL6162603 0.84 NR1I2 (0.55) ESR1ESR2NR1I2
SCHEMBL28140502 0.84 NR1I2 (0.55) ESR1ESR2NR1I2
SCHEMBL28031202 0.83 ESR1 (0.38) ESR1ESR2NR1I2
SCHEMBL8859009 0.82 NR1I2 (0.41) ESR1ESR2NR1I2
SCHEMBL6850756 0.80 NR1I2 (0.44) ESR1ESR2NR1I2
SCHEMBL5480284 0.80 NR1I2 (0.44) ESR1ESR2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212348-B2 Method for producing hematopoietic stem cells using pyrazole compounds NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-15 US claimed
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
CN-102666490-A Aminopyridine compound UBE INDUSTRIES 2012-09-12 CN 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
CN-102666490-A Aminopyridine compound UBE INDUSTRIES 2012-09-12 CN 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-0906324-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
EP-0888262-A1 CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997045436-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1997-12-04 WO disclosed
WO-1997034852-A1 CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-09-25 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-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR ESR1 4791/4885ESR2 4671/4885NR1I2 1566/4885

“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.