SCHEMBL3943518

SCHEMBL3943518

CCCOc1cccc(C(=CC=CC(=O)O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
CYP1A1 P04798 3/20 0.51
CYP1B1 Q16678 3/20 0.51
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
ALOX12 P18054 1/20 0.47
CCR6 P51684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAOB P27338 2/20 0.47
NR1H4 Q96RI1 1/20 0.43
HTT P42858 1/20 0.42
NR4A2 P43354 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KAT6A Q92794 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3943514 1.00 KMT2A (0.51) KMT2ACYP1A1CYP1B1ALDH1A1LMNA
SCHEMBL3943516 1.00 KMT2A (0.51) KMT2ACYP1A1CYP1B1ALDH1A1LMNA
SCHEMBL3940434 0.92 CYP1A1 (0.49) KMT2ACYP1A1CYP1B1ALDH1A1LMNA
SCHEMBL3940433 0.92 CYP1A1 (0.49) KMT2ACYP1A1CYP1B1ALDH1A1LMNA
SCHEMBL3940428 0.92 CYP1A1 (0.49) KMT2ACYP1A1CYP1B1ALDH1A1LMNA
SCHEMBL4088098 0.89 CYP1A1 (0.61) KMT2ACYP1A1CYP1B1MAPTSMN1; SMN2
SCHEMBL4088100 0.89 CYP1A1 (0.61) KMT2ACYP1A1CYP1B1MAPTSMN1; SMN2
SCHEMBL4088102 0.89 CYP1A1 (0.61) KMT2ACYP1A1CYP1B1MAPTSMN1; SMN2
SCHEMBL3942821 0.87 MAOB (0.42) KMT2ACYP1A1CYP1B1MAOBNR4A2
SCHEMBL3942820 0.87 MAOB (0.42) KMT2ACYP1A1CYP1B1MAOBNR4A2

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-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 KMT2A 772/4885CYP1A1 916/4885CYP1B1 382/4885

“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.