SCHEMBL3246436

SCHEMBL3246436

NCC1CCCN1C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 4/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 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
SCHEMBL7019251 1.00 EPHX1 (0.33) EPHX1HTTLMNASIGMAR1ALDH1A1
SCHEMBL13316359 1.00 EPHX1 (0.33) EPHX1HTTLMNASIGMAR1ALDH1A1
SCHEMBL10721919 1.00 EPHX1 (0.33) EPHX1HTTLMNASIGMAR1ALDH1A1
SCHEMBL10721961 1.00 EPHX1 (0.33) EPHX1HTTLMNASIGMAR1ALDH1A1
SCHEMBL7020479 0.98 HTT (0.34) EPHX1HTTLMNA
SCHEMBL10368168 0.98 HTT (0.34) EPHX1HTTLMNA
SCHEMBL13316373 0.93 HTT (0.34) HTTLMNA
SCHEMBL13349565 0.93 HTT (0.34) HTTLMNA
SCHEMBL10722762 0.91 HTT (0.35) HTT
SCHEMBL24629315 0.89 HTT (0.39) EPHX1HTTLMNA

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-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-06-10 US disclosed
EP-1454617-B1 HAIR BLEACH AND DYE COMPOSITIONS KAO CORP (JP) 2010-05-05 EP disclosed
EP-1454617-B1 HAIR BLEACH AND DYE COMPOSITIONS KAO CORP (JP) 2010-05-05 EP disclosed
US-7649011-B2 Active against cancer proliferation, growth, and metastasis; such as 3,4,5-trimethoxy-n-(2-methyl-3-phenyl-allyl)-n-[2-(1-methyl-pyrrolidin-2-yl)-thyl]-benzamide; side effect reduction CHEMOCENTRYX, INC. (US) 2010-01-19 US disclosed
US-7649011-B2 Active against cancer proliferation, growth, and metastasis; such as 3,4,5-trimethoxy-n-(2-methyl-3-phenyl-allyl)-n-[2-(1-methyl-pyrrolidin-2-yl)-thyl]-benzamide; side effect reduction CHEMOCENTRYX, INC. (US) 2010-01-19 US disclosed
US-7211116-B2 Hair dye composition KAO CORPORATION (JP) 2007-05-01 US disclosed
US-7211116-B2 Hair dye composition KAO CORPORATION (JP) 2007-05-01 US disclosed
CN-1691933-A Hair dye composition KAO CORP (JP) 2005-11-02 CN disclosed
EP-1454617-A1 HAIR DYE COMPOSITION Kao Corporation (JP) 2004-09-08 EP disclosed
US-4673686-A CNS MODIFIERS, ANTI-APOMORPHINE ANTIENETIC ACITIVTY/ SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLE DE L'ILE DE FRANCE (FR) 1987-06-16 US disclosed
US-4041032-A ANTIEMATICS, GASTRIC MOTILITY STIMULANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-08-09 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-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CCL2, CCR2, CXCR2 EPHX1 1656/4885HTT 3662/4885LMNA 4709/4885

“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.