SCHEMBL401939

SCHEMBL401939

CCCCCCCCc1ccc(-c2ccc(N)cc2CC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RARB P10826 10/20 0.51
RARA P10276 2/20 0.47
MTOR P42345 1/20 0.47
THRA P10827 3/20 0.46
THRB P10828 3/20 0.46
TSHR P16473 1/20 0.44
RARG P13631 1/20 0.44
ESR1 P03372 2/20 0.44

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
SCHEMBL16758692 0.86 HTR2A (0.56) HTR2AMEN1KMT2AALDH1A1KDM4E
SCHEMBL11117159 0.84 CNR1 (0.49) HTR2AMEN1KMT2AALDH1A1KDM4E
SCHEMBL6572099 0.84 HTR2A (0.53) HTR2AMEN1KMT2AALDH1A1KDM4E
SCHEMBL28596302 0.84 CNR1 (0.49) HTR2AMEN1KMT2AALDH1A1KDM4E
SCHEMBL10347952 0.83 CNR1 (0.48) HTR2AMEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6572967 0.83 HTR2A (0.51) HTR2AMEN1KMT2AALDH1A1KDM4E
SCHEMBL360104 0.83 CNR1 (0.47) HTR2AMEN1KMT2AALDH1A1KDM4E
SCHEMBL1696307 0.82 RARB (0.51) HTR2AMEN1KMT2AALDH1A1KDM4E
SCHEMBL16807102 0.82 RARB (0.54) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL19722341 0.82 RARB (0.50) HTR2AMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9159927-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-13 US disclosed
US-8889269-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-11-18 US disclosed
US-8652655-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-18 US disclosed
US-8551624-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-08 US disclosed
US-20130193423-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-08-01 US disclosed
US-20120065432-A1 ELECTROACTIVE MATERIALS E.I DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 US disclosed
US-20120013245-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-19 US disclosed
US-8063399-B2 Electroactive materials E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-22 US disclosed
US-20110095269-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY 2011-04-28 US disclosed
US-20100213825-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2010-08-26 US disclosed
WO-2009067419-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-28 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 (4 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-20120013245-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B HTR2A 1453/4885MEN1 68/4885KMT2A 2068/4885
US-20120065432-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B HTR2A 1453/4885MEN1 68/4885KMT2A 2068/4885
US-20100213825-A1 ELECTROACTIVE MATERIALS ESR2, ITGB2, ARL1 HTR2A 1595/4885MEN1 570/4885KMT2A 1743/4885
US-20110095269-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B HTR2A 1453/4885MEN1 68/4885KMT2A 2068/4885

“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.