SCHEMBL464668

SCHEMBL464668

CCC1c2ccccc2CC1O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
OPRM1 P35372 1/20 0.37
ANPEP P15144 1/20 0.37
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL16770602 1.00 SIGMAR1 (0.39) SIGMAR1CHRNB2CHRNA4OPRM1ANPEP
SCHEMBL16770603 1.00 SIGMAR1 (0.39) SIGMAR1CHRNB2CHRNA4OPRM1ANPEP
SCHEMBL13616986 1.00 SIGMAR1 (0.39) SIGMAR1CHRNB2CHRNA4OPRM1ANPEP
SCHEMBL22768719 1.00 SIGMAR1 (0.39) SIGMAR1CHRNB2CHRNA4OPRM1ANPEP
SCHEMBL24821527 0.85 SHBG (0.41) SIGMAR1CHRNB2CHRNA4OPRM1
SCHEMBL3326902 0.82 OPRM1 (0.38) OPRM1ANPEP
SCHEMBL13299010 0.82 OPRM1 (0.38) OPRM1ANPEP
SCHEMBL18950788 0.82 SIGMAR1 (0.40) SIGMAR1OPRM1
SCHEMBL25675768 0.81 PDPK1 (0.44)
SCHEMBL18976626 0.78 CHRNB2 (0.40) SIGMAR1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221849-B Application of metallocene catalyst composition as catalyst in preparation of poly alpha olefin wax 亚培烯科技(上海)有限公司 2024-12-13 CN disclosed
CN-118221849-A Application of metallocene catalyst composition as catalyst in preparation of poly alpha olefin wax 亚培烯科技(上海)有限公司 2024-06-21 CN disclosed
US-20210154188-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2021-05-27 US disclosed
EP-3041822-B1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-08-09 EP disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 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-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS TNK2, CNKSR1, BMP2K SIGMAR1 4317/4885CHRNB2 2606/4885CHRNA4 3466/4885
US-20210154188-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF ALK, ALKBH5, ALKBH3 SIGMAR1 4276/4885CHRNB2 1518/4885CHRNA4 1767/4885

“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.