SCHEMBL22207673

SCHEMBL22207673

C=Cc1ccc(COC(C=C)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
CASR P41180 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PSMD14 O00487 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TACR1 P25103 2/20 0.32
RCE1 Q9Y256 1/20 0.31
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 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
SCHEMBL793949 0.88 SLC6A2 (0.44) TSHRCASRCHRNB2CHRNA4SLC6A2
SCHEMBL8745124 0.84 TSHR (0.41) TSHRCASRCHRNB2CHRNA4SLC6A2
SCHEMBL9324006 0.75 ALDH1A1 (0.48) ALDH1A1TSHRCHRNB2CHRNA4POLB
SCHEMBL4830725 0.74 CASR (0.36) ALDH1A1CASRCHRNB2CHRNA4CYP2C19
SCHEMBL14378813 0.73 TSHR (0.62) ALDH1A1TSHRPOLBCA1CA2
SCHEMBL9514800 0.73 SLC6A2 (0.42) TSHRCHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL7158465 0.72 CASR (0.40) ALDH1A1CASRLMNASMN1; SMN2CYP1A2
SCHEMBL20241505 0.72 CASR (0.37) ALDH1A1TSHRCASRSLC6A2SLC6A4
SCHEMBL1906076 0.72 MEN1 (0.44) ALDH1A1CASRPOLBSMN1; SMN2MEN1
SCHEMBL5199701 0.72 ALDH1A1 (0.44) ALDH1A1TSHRCHRNB2CHRNA4CA1

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-11773207-B2 Thiol compound, method for synthesizing same, and uses for said thiol compound SHIKOKU CHEMICALS CORPORATION (JP) 2023-10-03 US disclosed
US-20220112330-A1 THIOL COMPOUND, METHOD FOR SYNTHESIZING SAME, AND USES FOR SAID THIOL COMPOUND SHIKOKU CHEMICALS CORPORATION (JP) 2022-04-14 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

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-11773207-B2 Thiol compound, method for synthesizing same, and uses for said thiol compound TST, TMT1A, CTH ALDH1A1 412/4885TSHR 3486/4885CASR 4786/4885
US-20220112330-A1 THIOL COMPOUND, METHOD FOR SYNTHESIZING SAME, AND USES FOR SAID THIOL COMPOUND TST, TMT1A, CTH ALDH1A1 412/4885TSHR 3486/4885CASR 4786/4885

“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.