SCHEMBL2447727

SCHEMBL2447727

O=C(O)c1ccccc1OCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.63
RXRB P28702 2/20 0.63
RXRG P48443 2/20 0.63
MRGPRX4 Q96LA9 1/20 0.53
ALDH1A1 P00352 3/20 0.50
FOLH1 Q04609 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
PARP1 P09874 1/20 0.49
DHODH Q02127 1/20 0.48
SGMS2 Q8NHU3 2/20 0.48
KMT2A Q03164 1/20 0.48
PTK2B Q14289 1/20 0.48

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
SCHEMBL13602562 0.88 RXRA (0.54) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL5839465 0.85 MRGPRX4 (0.56) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL5839516 0.84 NR4A1 (0.63) ALDH1A1FOLH1LMNAPARP1SGMS2
SCHEMBL2451483 0.83 RXRA (0.58) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL2452574 0.82 LMNA (0.68) ALDH1A1FOLH1LMNAMAPTL3MBTL1
SCHEMBL112903 0.82 SGMS2 (0.66) ALDH1A1FOLH1LMNAMAPTL3MBTL1
SCHEMBL29433417 0.82 SGMS2 (0.66) ALDH1A1FOLH1LMNAMAPTL3MBTL1
SCHEMBL1388037 0.81 RXRA (0.60) RXRARXRBRXRGALDH1A1FOLH1
SCHEMBL9138435 0.81 CTNNB1 (0.51) ALDH1A1HTTDHODH
SCHEMBL2452396 0.81 FOLH1 (0.56) RXRARXRBRXRGALDH1A1FOLH1

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 4 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
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 EP disclosed
US-6984645-B2 Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-10 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 RXRA 2787/4885RXRB 2942/4885RXRG 2818/4885

“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.