SCHEMBL2318952

SCHEMBL2318952

C=CCOc1cccc(CC=C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
BCHE P06276 2/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 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
SCHEMBL15567911 0.89 KDM4E (0.51) KDM4ENPC1RAB9ABCHEGAA
SCHEMBL11127858 0.87 ALDH1A1 (0.42) KDM4ENPC1RAB9ABCHEGAA
SCHEMBL22215905 0.87 KDM4E (0.51) KDM4ENPC1RAB9ABCHEGAA
SCHEMBL723458 0.87 BCHE (0.53) KDM4ENPC1RAB9ABCHEGAA
SCHEMBL2093704 0.85 ALDH1A1 (0.41) KDM4ENPC1RAB9ABCHEGAA
SCHEMBL8670249 0.85 MAOA (0.45) KDM4ENPC1RAB9ABCHEGAA
SCHEMBL1520719 0.84 MEN1 (0.50) KDM4ENPC1RAB9ABCHEGAA
SCHEMBL7545299 0.84 CYP4F2 (0.44) KDM4ENPC1RAB9ABCHEGAA
SCHEMBL3768879 0.84 KDM4E (0.49) KDM4ENPC1RAB9ABCHEGAA
SCHEMBL20482022 0.84 KDM4E (0.49) KDM4ENPC1RAB9ABCHEGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds SHIKOKU CHEMICALS CORPORATION (JP) 2023-11-07 US disclosed
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds SHIKOKU CHEMICALS CORPORATION (JP) 2023-11-07 US disclosed
US-11773207-B2 Thiol compound, method for synthesizing same, and uses for said thiol compound SHIKOKU CHEMICALS CORPORATION (JP) 2023-10-03 US disclosed
US-20200369606-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS SHIKOKU CHEMICALS CORPORATION (JP) 2020-11-26 US disclosed
WO-2020145111-A1 THIOL COMPOUND, METHOD FOR SYNTHESIZING SAME, AND USES FOR SAID THIOL COMPOUND 四国化成工業株式会社 2020-07-16 WO disclosed
EP-2352560-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE Firmenich S.A. (CH) 2011-08-10 EP disclosed
WO-2010052636-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2010-05-14 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 (3 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-20200369606-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS TMT1A, CTH, SLC7A11 KDM4E 575/4885NPC1 3479/4885RAB9A 3481/4885
US-11773207-B2 Thiol compound, method for synthesizing same, and uses for said thiol compound TST, TMT1A, CTH KDM4E 1377/4885NPC1 3586/4885RAB9A 4459/4885
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds TMT1A, CTH, SLC7A11 KDM4E 575/4885NPC1 3479/4885RAB9A 3481/4885

“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.