SCHEMBL10061352

SCHEMBL10061352

CC/C(C(=O)/C=C/c1ccc(CNC)cc1)=C(O)\C=C\c1ccc(N(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.67
MMP13 P45452 3/20 0.55
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
HSD17B3 P37058 1/20 0.46
MMP9 P14780 2/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL10077705 0.81 MMP8 (1.00) MMP8MMP13HDAC4HDAC1HDAC3
SCHEMBL12261585 0.81 MMP8 (0.84) MMP8MMP13HDAC4HDAC1HDAC3
SCHEMBL10061356 0.78 BACE1 (0.49) MMP8MMP9KMT2AMAPTNPC1
SCHEMBL10061363 0.78 MMP8 (0.74) MMP8MMP13HDAC4HDAC1HDAC3
SCHEMBL610551 0.74 ESR1 (0.53) KMT2ARAB9AMAOBTLR9
SCHEMBL610552 0.74 ESR1 (0.53) KMT2ARAB9AMAOBTLR9
SCHEMBL14606209 0.74 TDP1 (0.52) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL16558599 0.73 MMP8 (0.69) MMP8MMP13HDAC4HDAC1HDAC3
SCHEMBL4575956 0.72 MMP8 (0.63) MMP8MMP13HDAC4HDAC1HDAC3
SCHEMBL4575959 0.72 MMP8 (0.63) MMP8MMP13HDAC4HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-16 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-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG MMP8 1650/4885MMP13 1776/4885HDAC4 560/4885

“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.