SCHEMBL3028708

SCHEMBL3028708

O=Cc1ccc(-c2ccc(O)cc2Cl)o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.69
POLB P06746 5/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPT P10636 3/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ESR2 Q92731 4/20 0.46
KDM4E B2RXH2 4/20 0.45
LMNA P02545 2/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
MAPK1 P28482 1/20 0.43
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42
HAO1 Q9UJM8 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1728691 0.83 MAPT (0.64) ESR1POLBALDH1A1MAPTMEN1
SCHEMBL21823849 0.81 ALDH1A1 (0.61) ESR1POLBALDH1A1MAPTMEN1
SCHEMBL5662153 0.77 ALDH1A1 (0.57) ESR1POLBALDH1A1MAPTMEN1
SCHEMBL1616299 0.76 KDM4E (0.58) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL16029701 0.76 MAPT (1.00) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL6010140 0.74 PIK3CA (0.57) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL18920689 0.74 KDM4E (0.60) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL17802299 0.74 ALDH1A1 (0.53) ESR1POLBALDH1A1MAPTMEN1
SCHEMBL4697667 0.73 HPGD (0.65) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL5705025 0.72 ALDH1A1 (0.48) POLBALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338465-B2 Cyclic carboxylic acid rhodanine derivatives for the treatment and prevention of tuberculosis CORNELL RESEARCH FOUNDATION, INC. (US) 2012-12-25 US disclosed
US-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS CORNELL RESEARCH FOUNDATION, INC. 2010-08-19 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-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS RARG, SDHA, RARS2 ESR1 3771/4885POLB 1558/4885ALDH1A1 270/4885

“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.