SCHEMBL3198393

SCHEMBL3198393

O=C(O)C1=Cc2ccccc2OC1Cl

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
PTGS2 P35354 15/20 0.42
PTGS1 P23219 9/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL5982033 0.84 KDM4E (0.44) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL212954 0.79 KDM4E (0.57) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL10512942 0.79 KDM4E (0.43) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL10597711 0.78 KDM4E (0.42) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL6093316 0.77 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL27916566 0.77 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL4751105 0.77 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5794328 0.77 KDM4E (0.44) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL1772589 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL6212296 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 US claimed
CN-103880827-A Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RES INC 2014-06-25 CN disclosed
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME DRD3, CHRNA3, CHRM3 KDM4E 2673/4885ALDH1A1 1554/4885HPGD 2075/4885

“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.