SCHEMBL6049243

SCHEMBL6049243

[CH2]CC(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
TAAR1 Q96RJ0 4/20 0.46
SIGMAR1 Q99720 3/20 0.46
SLC6A2 P23975 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
CYP1A2 P05177 1/20 0.44
SLC18A2 Q05940 1/20 0.43
ANPEP P15144 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
TRPA1 O75762 1/20 0.41

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
SCHEMBL9871271 0.95 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL10664680 0.86 EPHX1 (0.43) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL21121205 0.86 TRPA1 (0.47) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL4981467 0.83 EPHX1 (0.60) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL4587541 0.81 SIGMAR1 (0.43) SIGMAR1MAOA
Ammonia Solution, Strong SCHEMBL21412646 0.80 EPHX1 (0.57) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL5151522 0.80 EPHX1 (0.46) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL3544754 0.80 SIGMAR1 (0.45) SIGMAR1MAOA
SCHEMBL6835652 0.79 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL523308 0.77 EPHX1 (0.48) EPHX1TAAR1SIGMAR1SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328659-A1 SOFT OPHTHALMIC LENS AND METHOD FOR MANUFACTURING SAME National Institute for Materials Science (JP) 2024-02-28 EP disclosed
CN-117203571-A Soft spectacle lens and method for manufacturing same 国立研究开发法人物质·材料研究机构 2023-12-08 CN disclosed
CN-113149858-B Synthesis method of intermolecular N-N bonding and compound correspondingly synthesized 南开大学 2023-01-17 CN disclosed
CN-113149858-A Synthesis method of intermolecular N-N bonding and compound correspondingly synthesized 南开大学 2021-07-23 CN disclosed
US-20060264480-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2006-11-23 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-20060264480-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TRPV5 EPHX1 2935/4885TAAR1 409/4885SIGMAR1 504/4885

“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.