SCHEMBL621935

SCHEMBL621935

CCCC(C)c1ccc(C(=O)O)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
P4HTM Q9NXG6 13/20 0.49
P4HA1 P13674 1/20 0.44

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
SCHEMBL14827254 0.87 P4HTM (0.51) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL25790388 0.83 PARP1 (0.40) L3MBTL1LMNAMAPTMAPK1
SCHEMBL6717442 0.80 KDM4E (0.54) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL30181544 0.79 P4HTM (0.53) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL6920475 0.79 P4HTM (0.53) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL10095109 0.78 P4HTM (0.53) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL27837540 0.78 P4HTM (0.52) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL20178617 0.77 KDM4E (0.54) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL24859291 0.76 ESR1 (0.38) ALDH1A1L3MBTL1LMNACYP1A2CYP3A4
SCHEMBL14358092 0.76 KDM4E (0.53) KDM4EALDH1A1L3MBTL1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-05-25 US disclosed
US-9765018-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-19 US disclosed
US-20130237415-A1 SAFENER COMPOSITIONS AND METHODS FOR REDUCING MYCOTOXINS SYNGENTA CROP PROTECTION LLC (US) 2013-09-12 US disclosed
EP-2592931-A1 SAFENER COMPOSITIONS AND METHODS FOR REDUCING MYCOTOXINS Syngenta Participations AG (CH) 2013-05-22 EP disclosed
WO-2012021250-A1 SAFENER COMPOSITIONS AND METHODS FOR REDUCING MYCOTOXINS SYNGENTA PARTICIPATIONS AG (CH) 2012-02-16 WO 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-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF HDAC6, PSMG3, PSMB2 KDM4E 1954/4885ALDH1A1 2269/4885L3MBTL1 1442/4885

“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.