SCHEMBL9944613

SCHEMBL9944613

CC(=O)/C=C/c1ccc(CO)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FDPS P14324 1/20 0.38
HDAC8 Q9BY41 5/20 0.35
HDAC3 O15379 4/20 0.35
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
ALDH1A1 P00352 3/20 0.35
IAPP P10997 2/20 0.35
PTGS1 P23219 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL1410986 0.84 EGFR (0.50) KDM4ELMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL1410982 0.84 EGFR (0.50) KDM4ELMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL12501196 0.82 APP (0.40) KDM4EL3MBTL1HDAC8HDAC3HDAC4
SCHEMBL24844844 0.82 KMT2A (0.46) KDM4EMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL1411068 0.80 CA12 (0.48) KDM4EMAPTL3MBTL1FDPSALDH1A1
SCHEMBL9944607 0.77 MAPT (0.46) KDM4EMAPTLMNASMN1; SMN2CYP1A2
SCHEMBL6245688 0.76 KDM4E (0.42) KDM4ELMNAL3MBTL1HDAC8ALDH1A1
SCHEMBL751076 0.75 NFE2L2 (0.47) KDM4EMAPTLMNASMN1; SMN2CYP1A2
SCHEMBL1909363 0.74 HDAC8 (0.59) MAPTLMNACYP1A2HTTGLA
SCHEMBL28791431 0.74 HDAC8 (0.59) MAPTLMNACYP1A2HTTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 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 (3 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-20130303576-A1 ENZYME INHIBITORS HDAC1, HDAC4, HDAC3 KDM4E 115/4885MAPT 4416/4885LMNA 947/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 KDM4E 266/4885MAPT 4727/4885LMNA 1539/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 KDM4E 427/4885MAPT 3121/4885LMNA 835/4885

“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.