SCHEMBL17033397

SCHEMBL17033397

O=C(CCN1CCCCCC1)c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.72
KMT2A Q03164 7/20 0.72
MAPT P10636 5/20 0.72
GFER P55789 1/20 0.69
LMNA P02545 5/20 0.64
HTT P42858 4/20 0.64
MEN1 O00255 1/20 0.64
POLB P06746 1/20 0.64
TP53 P04637 3/20 0.62
HPGD P15428 2/20 0.62
TSHR P16473 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
THRB P10828 2/20 0.61
USP2 O75604 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HTR1A P08908 1/20 0.61
SIGMAR1 Q99720 1/20 0.59
CYP1A2 P05177 1/20 0.59
CHRM2 P08172 1/20 0.59
CHRM4 P08173 1/20 0.59

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
Hydrochloric Acid SCHEMBL5954595 0.98 ALDH1A1 (0.71) ALDH1A1KMT2AMAPTGFERLMNA
Hydrochloric Acid SCHEMBL5954525 0.97 ALDH1A1 (0.72) ALDH1A1KMT2AMAPTGFERLMNA
SCHEMBL11562987 0.90 DRD2 (0.68) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL7374159 0.89 DRD2 (0.63) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL11829762 0.89 DRD2 (0.70) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL5954175 0.85 KMT2A (0.70) ALDH1A1KMT2AMAPTLMNAHTT
SCHEMBL12267314 0.85 ALDH1A1 (0.78) ALDH1A1KMT2AMAPTGFERLMNA
SCHEMBL13069210 0.85 ALDH1A1 (0.73) ALDH1A1KMT2AMAPTGFERLMNA
SCHEMBL7255774 0.84 ALDH1A1 (1.00) ALDH1A1KMT2AMAPTLMNAHTT
Hydrochloric Acid SCHEMBL7930370 0.84 KMT2A (0.69) ALDH1A1KMT2AMAPTLMNAHTT

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-20150237857-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2015-08-27 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-20150237857-A1 ANTIBACTERIAL INHIBITORS MRPL21, Q6ZSR9, SPOUT1 ALDH1A1 3080/4885KMT2A 4493/4885MAPT 3540/4885

“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.