SCHEMBL24022707

SCHEMBL24022707

C=C(NC1CCCCC1)NC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 2/20 0.55
RAB9A P51151 2/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
KDM4E B2RXH2 1/20 0.55
EPHX2 P34913 1/20 0.55
SIGMAR1 Q99720 3/20 0.48
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL18823623 1.00 EPHX1 (0.55) EPHX1SMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL23618281 0.85 SIGMAR1 (0.46) EPHX1SMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL25484597 0.85 SIGMAR1 (0.46) EPHX1SMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL19142695 0.81 SIGMAR1 (0.43) EPHX1SMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL18972635 0.79 EPHX1 (0.46) EPHX1SMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL10287540 0.78 EPHX1 (0.50) EPHX1SMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL18807454 0.78 EPHX1 (0.50) EPHX1SMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL8336708 0.78 EPHX1 (0.50) EPHX1SMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL23989085 0.78 SIGMAR1 (0.41) EPHX1SMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL16076630 0.78 EPHX1 (0.43) EPHX1SMN1; SMN2NPC1ALDH1A1CYP3A4

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-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
US-11174350-B2 Resin and photosensitive resin composition TORAY INDUSTRIES, INC. (JP) 2021-11-16 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 EPHX1 2817/4885SMN1; SMN2 2289/4885NPC1 1472/4885
US-20220017494-A1 METHODS FOR SYNTHESIZING VINYLIDENES AND ALKENES ALKBH2, VAV1, ALKBH3 EPHX1 2817/4885SMN1; SMN2 2289/4885NPC1 1472/4885

“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.