SCHEMBL2829398

SCHEMBL2829398

C#Cc1ccc(N(CCCCCC)CCCCCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
CNR2 P34972 9/20 0.38
PTPN11 Q06124 1/20 0.38
PTPRO Q16827 1/20 0.38
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
CYP2C9 P11712 1/20 0.35

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
SCHEMBL10027405 1.00 KCNH2 (0.39) KCNH2CNR2PTPN11PTPROEGFR
SCHEMBL29768271 1.00 KCNH2 (0.39) KCNH2CNR2PTPN11PTPROEGFR
SCHEMBL2829021 0.95 PTPN11 (0.43) KCNH2CNR2PTPN11PTPROEGFR
SCHEMBL5136014 0.93 CNR2 (0.43) KCNH2CNR2
SCHEMBL560649 0.93 EGFR (0.41) CNR2EGFRERBB2CYP2C9
SCHEMBL12677177 0.84 CNR2 (0.46) KCNH2CNR2EGFRERBB2
SCHEMBL1815516 0.84 CNR2 (0.46) KCNH2CNR2EGFRERBB2
SCHEMBL19035846 0.84 MAPT (0.45) KCNH2
SCHEMBL1459455 0.82 EGFR (0.44) CNR2EGFRERBB2
SCHEMBL14454643 0.82 TSHR (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853685-B Broadband liquid crystal laser protection material prepared by multi-click chemistry and preparation method thereof 西北工业大学 2024-05-14 CN claimed
CN-116375984-A Water-soluble conjugated high-molecular polymer and preparation method thereof 西京学院 2023-07-04 CN claimed
CN-114853685-A Broadband liquid crystal laser protection material prepared by multi-click chemistry and preparation method thereof 西北工业大学 2022-08-05 CN claimed
CN-111944327-A Near-infrared absorption dye applied to liquid crystal system and preparation method thereof 南京优写智能科技有限公司 2020-11-17 CN claimed
CN-114853685-B Broadband liquid crystal laser protection material prepared by multi-click chemistry and preparation method thereof 西北工业大学 2024-05-14 CN disclosed
CN-116375984-A Water-soluble conjugated high-molecular polymer and preparation method thereof 西京学院 2023-07-04 CN disclosed
CN-114853685-A Broadband liquid crystal laser protection material prepared by multi-click chemistry and preparation method thereof 西北工业大学 2022-08-05 CN disclosed
CN-111944327-A Near-infrared absorption dye applied to liquid crystal system and preparation method thereof 南京优写智能科技有限公司 2020-11-17 CN disclosed
US-7842758-B2 Conjugated materials featuring proquinoidal units THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-11-30 US disclosed
US-20090221762-A1 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS THE TRUSSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-09-03 US disclosed
WO-2007081991-A9 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS UNIV PENNSYLVANIA (US) 2007-09-07 WO disclosed
WO-2007081991-A2 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-07-19 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-20090221762-A1 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS PML, ILK, PARG KCNH2 4097/4885CNR2 4007/4885PTPN11 4686/4885

“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.