SCHEMBL20573106

SCHEMBL20573106

COC(=O)C(C(=O)OC)=C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.33
SLC6A3 Q01959 4/20 0.32
SLC6A2 P23975 3/20 0.32
ESR1 P03372 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CHRM1 P11229 1/20 0.32
GRIK1 P39086 2/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIK3 Q13003 1/20 0.31
GRIK5 Q16478 1/20 0.31
TSHR P16473 1/20 0.31
USP2 O75604 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL6356441 0.98 SLC6A2 (0.35) ALDH1A1KMT2ASLC6A3SLC6A2ESR1
SCHEMBL29138431 0.78 ALDH1A1 (0.39) ALDH1A1KMT2ASLC6A3SLC6A2ESR1
SCHEMBL6047678 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL29138432 0.76 SLC6A2 (0.38) ALDH1A1KMT2ASLC6A3SLC6A2ESR1
SCHEMBL3200633 0.75 MAPT (0.39) ALDH1A1KMT2ATSHR
SCHEMBL13881363 0.75 GRIK1 (0.35) ALDH1A1KMT2ASLC6A3SLC6A2ESR1
SCHEMBL20262491 0.75 ADRA1A (0.47) KMT2ASLC6A3SLC6A2ESR1PGR
SCHEMBL8275409 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL20262411 0.73 KMT2A (0.49) KMT2ASLC6A3SLC6A2ESR1PGR
SCHEMBL3179017 0.73 MAPT (0.38) ALDH1A1KMT2AGRIK1TSHR

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-10689408-B2 Bisphosphonic acid compound FUJIYAKUHIN CO., LTD. (JP) 2020-06-23 US disclosed
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND FUJIYAKUHIN CO., LTD. (JP) 2019-01-03 US disclosed
EP-3409679-A1 NOVEL BISPHOSPHONIC ACID COMPOUND Fuji Yakuhin Co., Ltd. (JP) 2018-12-05 EP 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-10689408-B2 Bisphosphonic acid compound SOST, PTH1R, BMP2 ALDH1A1 2709/4885KMT2A 2934/4885SLC6A3 1676/4885
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND SOST, PTH1R, BMP2 ALDH1A1 2859/4885KMT2A 3301/4885SLC6A3 1586/4885

“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.