SCHEMBL6974344

SCHEMBL6974344

CC(=O)OCc1cccc(CCl)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL6984472 0.84 ALDH1A1 (0.47) ALDH1A1NPSR1CYP1A2CYP2C19KCNH2
SCHEMBL13211474 0.84 ALDH1A1 (0.47) ALDH1A1NPSR1CYP1A2CYP2C19KCNH2
SCHEMBL6971769 0.84 ALDH1A1 (0.47) ALDH1A1NPSR1CYP1A2CYP2C19KCNH2
SCHEMBL9303916 0.83 ALDH1A1 (0.46) ALDH1A1NPSR1CYP1A2CYP2C19KDM4E
SCHEMBL1558091 0.81 ALDH1A1 (0.47) ALDH1A1NPSR1CYP1A2CYP2C19KDM4E
SCHEMBL27501958 0.80 HSD17B10 (0.49) ALDH1A1CYP1A2KDM4EHSD17B10KMT2A
SCHEMBL946915 0.79 ALDH1A1 (0.46) ALDH1A1NPSR1CYP1A2CYP2C19KCNH2
SCHEMBL2825978 0.79 ALDH1A1 (0.46) ALDH1A1NPSR1CYP1A2CYP2C19KDM4E
SCHEMBL16415765 0.79 ALDH1A1 (0.46) ALDH1A1NPSR1CYP1A2CYP2C19KCNH2
SCHEMBL6973532 0.79 ALDH1A1 (0.46) ALDH1A1NPSR1CYP1A2CYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365553-B2 Heterocyclic compound and H1 receptor antagonist ASKA PHARMACEUTICAL CO., LTD. (JP) 2016-06-14 US disclosed
US-9365553-B2 Heterocyclic compound and H1 receptor antagonist ASKA PHARMACEUTICAL CO., LTD. (JP) 2016-06-14 US disclosed
US-20130085127-A1 HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA PHARMACEUTICAL CO., LTD (JP) 2013-04-04 US disclosed
US-20130085127-A1 HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA PHARMACEUTICAL CO., LTD (JP) 2013-04-04 US disclosed
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 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-20130085127-A1 HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST HRH2, HRH4, HRH1 ALDH1A1 2121/4885NPSR1 34/4885CYP1A2 494/4885

“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.