SCHEMBL13838043

SCHEMBL13838043

COC(=O)CCCC1=CC=CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
MIF P14174 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 2/20 0.38
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 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
SCHEMBL1057171 0.89 TSHR (0.43) TSHRALDH1A1MAPTLMNAKMT2A
SCHEMBL11908924 0.83 ALDH1A1 (0.33) ALDH1A1HPGD
SCHEMBL14144642 0.80 ALDH1A1 (0.34) ALDH1A1HSD17B10
SCHEMBL13837931 0.80 HDAC3 (0.42) TSHRALDH1A1MAPTLMNAHSD17B10
Carbon Monoxide SCHEMBL966181 0.80 TSHR (0.34) TSHRALDH1A1MAPTLMNAKMT2A
SCHEMBL28322692 0.79 TSHR (0.42) TSHRMIFALDH1A1MAPTLMNA
SCHEMBL966033 0.78 HSP90AB1 (0.41) TSHRALDH1A1MAPTLMNAKMT2A
SCHEMBL22184138 0.77 PSMB8 (0.35) KMT2A
SCHEMBL28992178 0.73 NAAA (0.49) TSHRALDH1A1LMNAHTTHPGD
SCHEMBL28992213 0.73 NAAA (0.49) TSHRALDH1A1MAPTLMNAHTT

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-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 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 (2 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-20120322827-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY TSHR 1177/4885MIF 4738/4885ALDH1A1 767/4885
US-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B TSHR 1705/4885MIF 4820/4885ALDH1A1 1319/4885

“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.