SCHEMBL3973867

SCHEMBL3973867

Clc1ccc(-c2cocc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.56
AHR P35869 2/20 0.44
LMNA P02545 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP1A2 P05177 1/20 0.43
TDO2 P48775 1/20 0.43
PTGS2 P35354 3/20 0.40
NOTUM Q6P988 2/20 0.38
PTGS1 P23219 1/20 0.38
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
PIK3CA P42336 1/20 0.37
ESR2 Q92731 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 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
SCHEMBL5538969 0.84 ESR1 (0.41) ESR1AHRLMNACYP2A6CYP1A2
SCHEMBL6050742 0.80 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL6050738 0.80 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL5535893 0.79 ESR1 (0.38) ESR1AHRLMNACYP2A6CYP1A2
SCHEMBL5534474 0.73 SIRT2 (0.35) ESR1AHRTDO2NOTUMALDH1A1
SCHEMBL23232524 0.72 SLC6A3 (0.62) LMNACYP1A2ALDH1A1MAPT
SCHEMBL28215 0.71 CYP1A2 (0.73) AHRLMNACYP2A6CYP1A2NOTUM
SCHEMBL11165087 0.71 CYP1A2 (0.73) AHRLMNACYP2A6CYP1A2NOTUM
SCHEMBL3952742 0.71 CYP1A2 (0.73) AHRLMNACYP2A6CYP1A2NOTUM
SCHEMBL9862848 0.71 CYP1A2 (0.63) AHRLMNACYP2A6CYP1A2PTGS2

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-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US disclosed
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-04 US disclosed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP 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-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same GLP1R, GCGR, GPR119 ESR1 503/4885AHR 269/4885LMNA 2180/4885

“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.