SCHEMBL8907879

SCHEMBL8907879

CC(NCc1ccccc1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.50
SIGMAR1 Q99720 3/20 0.49
EPHX1 P07099 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA5 P08648 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
CTSS P25774 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL23023176 1.00 EPHX2 (0.50) EPHX2SIGMAR1EPHX1HPGDRAB9A
SCHEMBL9390747 0.98 SIGMAR1 (0.50) EPHX2SIGMAR1EPHX1HPGDRAB9A
SCHEMBL17605316 0.95 SIGMAR1 (0.50) EPHX2SIGMAR1EPHX1HPGDALDH1A1
SCHEMBL17604761 0.95 SIGMAR1 (0.50) EPHX2SIGMAR1EPHX1HPGDALDH1A1
SCHEMBL17605508 0.95 SIGMAR1 (0.50) EPHX2SIGMAR1EPHX1HPGDALDH1A1
Hydrochloric Acid SCHEMBL17605202 0.93 SIGMAR1 (0.49) EPHX2SIGMAR1EPHX1HPGDRAB9A
SCHEMBL17605151 0.91 SIGMAR1 (0.53) EPHX2SIGMAR1POLBSMN1; SMN2KMT2A
SCHEMBL17605544 0.91 SIGMAR1 (0.53) EPHX2SIGMAR1POLBSMN1; SMN2KMT2A
SCHEMBL17605050 0.91 SIGMAR1 (0.53) EPHX2SIGMAR1POLBSMN1; SMN2KMT2A
SCHEMBL23022872 0.85 SIGMAR1 (0.47) EPHX2SIGMAR1EPHX1HPGDRAB9A

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-20210053997-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-02-25 US disclosed
US-5686616-A Process for preparing an optically active amine TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-11-11 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-20210053997-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 EPHX2 3395/4885SIGMAR1 2321/4885EPHX1 3417/4885

“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.