SCHEMBL16378233

SCHEMBL16378233

Clc1ccc(OCCCCCCn2ccnc2)c(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.75
MEN1 O00255 5/20 0.75
KMT2A Q03164 5/20 0.75
TP53 P04637 1/20 0.75
HTT P42858 1/20 0.75
TSHR P16473 2/20 0.70
LMNA P02545 3/20 0.69
KDM4E B2RXH2 3/20 0.69
SMN1; SMN2 Q16637 1/20 0.67
ALDH1A1 P00352 4/20 0.63
PKM P14618 1/20 0.63
USP2 O75604 1/20 0.62
ALOX12 P18054 1/20 0.62
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL15894130 1.00 MAPK1 (0.75) MAPK1MEN1KMT2ATP53HTT
SCHEMBL15894140 1.00 MAPK1 (0.75) MAPK1MEN1KMT2ATP53HTT
Hydrochloric Acid SCHEMBL9263619 0.99 MAPK1 (0.73) MAPK1MEN1KMT2ATP53HTT
SCHEMBL15894143 0.99 MAPK1 (0.77) MAPK1MEN1KMT2ATP53HTT
SCHEMBL15894133 0.95 KDM4E (0.76) MAPK1MEN1KMT2ATP53HTT
SCHEMBL17482331 0.91 ALDH1A1 (0.76) MAPK1MEN1KMT2ATP53HTT
SCHEMBL17482334 0.87 MAPK1 (0.97) MAPK1MEN1KMT2ATP53HTT
Hydrochloric Acid SCHEMBL9266443 0.86 KMT2A (0.70) MAPK1MEN1KMT2ATP53HTT
SCHEMBL9260580 0.85 MEN1 (0.72) MAPK1MEN1KMT2ATP53HTT
SCHEMBL9260326 0.85 MEN1 (0.72) MAPK1MEN1KMT2ATP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031854-A1 ACTIVATION OR REACTIVATION OF ACHE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-04 US disclosed
WO-2014210168-A1 ACTIVATION OR REACTIVATION OF ACHE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-12-31 WO 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-20160031854-A1 ACTIVATION OR REACTIVATION OF ACHE ACHE, BCHE, CHAT MAPK1 2836/4885MEN1 3198/4885KMT2A 2633/4885

“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.