SCHEMBL24211656

SCHEMBL24211656

C=C(n1cncn1)n1cncn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
FAAH O00519 3/20 0.34
MGLL Q99685 3/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PDE4B Q07343 5/20 0.33
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL10862914 0.72 ALDH1A1 (0.35) ALDH1A1GAAFAAHMGLLLMNA
SCHEMBL1072036 0.72 ALDH1A1 (0.35) ALDH1A1GAAFAAHMGLLLMNA
SCHEMBL7268279 0.72 ALDH1A1 (0.43) ALDH1A1GAAFAAHMGLLLMNA
SCHEMBL7651462 0.70 ALDH1A1 (0.34) ALDH1A1GAAFAAHMGLLLMNA
SCHEMBL14321564 0.69 ALDH1A1 (0.53) ALDH1A1GAAFAAHMGLLLMNA
SCHEMBL4103205 0.69
SCHEMBL1774032 0.69
SCHEMBL7653958 0.69
SCHEMBL6450361 0.68 LMNA (0.34) FAAHMGLLLMNAMEN1KMT2A
SCHEMBL17371847 0.68 FAAH (0.36) FAAHMGLL

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-11572355-B2 Methods for synthesizing vinylidenes and alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2023-02-07 US disclosed
US-20220017494-A1 METHODS FOR SYNTHESIZING VINYLIDENES AND ALKENES UNITED STATES DEPARTMENT OF ENERGY 2022-01-20 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-11572355-B2 Methods for synthesizing vinylidenes and alkenes ALKBH2, VAV1, ALKBH3 ALDH1A1 474/4885GAA 2463/4885FAAH 2568/4885
US-20220017494-A1 METHODS FOR SYNTHESIZING VINYLIDENES AND ALKENES ALKBH2, VAV1, ALKBH3 ALDH1A1 474/4885GAA 2463/4885FAAH 2568/4885

“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.