SCHEMBL12805682

SCHEMBL12805682

Cc1ccc(C=CCC(=O)O)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.55
HDAC1 Q13547 5/20 0.46
HDAC3 O15379 4/20 0.46
HDAC2 Q92769 4/20 0.46
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PADI4 Q9UM07 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
TBXAS1 P24557 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
PDE5A O76074 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
ALOX5 P09917 2/20 0.36
MAOB P27338 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL12074867 1.00 PAM (0.55) PAMHDAC1HDAC3HDAC2TSHR
SCHEMBL17787989 0.86 HDAC1 (0.46) PAMHDAC1HDAC3HDAC2TSHR
SCHEMBL23992172 0.85 HDAC1 (0.47) PAMHDAC1HDAC3HDAC2TSHR
SCHEMBL12074865 0.80 PAM (0.51) PAMHDAC1HDAC3HDAC2SMN1; SMN2
SCHEMBL22295563 0.79 PAM (0.55) PAMSMN1; SMN2P4HTMTBXAS1ALDH1A1
SCHEMBL12074871 0.79 PAM (0.50) PAMHDAC1HDAC3HDAC2SMN1; SMN2
SCHEMBL1124258 0.79 P4HTM (0.64) HDAC1HDAC3HDAC2TSHRSMN1; SMN2
SCHEMBL1124260 0.79 P4HTM (0.64) HDAC1HDAC3HDAC2TSHRSMN1; SMN2
SCHEMBL20152895 0.78 ALDH1A1 (0.46) HDAC1HDAC3HDAC2PADI4HDAC6
SCHEMBL9044098 0.78 PAM (0.68) PAMSMN1; SMN2PDE5AALDH1A1POLB

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-20120252810-A1 FATTY ACID NON-FLUSHING NIACIN DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-10-04 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-20120252810-A1 FATTY ACID NON-FLUSHING NIACIN DERIVATIVES AND THEIR USES NAMPT, FASN, FFAR2 PAM 1937/4885HDAC1 1810/4885HDAC3 1308/4885

“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.