SCHEMBL12301282

SCHEMBL12301282

CCCCCOc1cc(OC)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
AHR P35869 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
NR5A1 Q13285 1/20 0.43
GAA P10253 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LTA4H P09960 2/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL15251098 0.89 GAA (0.45) AHRTDP1GAACA12CA1
SCHEMBL14176650 0.89 NR5A1 (0.50) NR5A1LTA4HTHRATHRBTSHR
SCHEMBL16939066 0.88 NR5A1 (0.53) NR5A1LTA4HTHRATHRBTSHR
SCHEMBL14015790 0.88 NR5A1 (0.53) NR5A1LTA4HTHRATHRBTSHR
Ammonia Solution, Strong SCHEMBL319524 0.86 NR5A1 (0.51) NR5A1LTA4HTHRATHRBTSHR
SCHEMBL12301283 0.86 ESR1 (0.50) CYSLTR2CYSLTR1AHRNR5A1CA12
SCHEMBL10717739 0.85 TSHR (0.46) NR5A1GAACA12CA1CA2
SCHEMBL13339091 0.85 THRA (0.53) NR5A1CNR1CNR2LTA4HTHRA
SCHEMBL13490814 0.84 TDP1 (0.44) TDP1GAACA12CA1CA2
SCHEMBL14036 0.83 TAAR1 (0.45) TDP1GAACA12CA1CA2

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-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 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-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 CYSLTR2 19/4885CYSLTR1 37/4885AHR 2/4885

“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.