SCHEMBL8053435

SCHEMBL8053435

CCOC(=O)C1(C(=O)O)CC(OCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.45
EPHX2 P34913 1/20 0.43
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.40
OPRM1 P35372 5/20 0.40
OPRL1 P41146 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
Hydrochloric Acid SCHEMBL8049068 0.99 ADAM17 (0.44) ADAM17EPHX2TSHRALDH1A1CYP3A4
SCHEMBL871442 0.94 ADAM17 (0.46) ADAM17EPHX2TSHRALDH1A1CYP3A4
SCHEMBL8050802 0.90 ADAM17 (0.43) ADAM17EPHX2TSHRALDH1A1CYP3A4
SCHEMBL8049066 0.90 EPHX2 (0.44) ADAM17EPHX2TSHRALDH1A1CYP3A4
SCHEMBL8536152 0.87 OPRM1 (0.47) ADAM17EPHX2ALDH1A1SMN1; SMN2LMNA
SCHEMBL12277199 0.86 LMNA (0.46) ADAM17EPHX2TSHRALDH1A1CYP3A4
SCHEMBL32676611 0.86 EPHX2 (0.44) ADAM17EPHX2ALDH1A1CYP3A4OPRM1
SCHEMBL2640274 0.85 EPHX2 (0.47) EPHX2ALDH1A1MAPK1L3MBTL1OPRM1
SCHEMBL15927866 0.85 ADAM17 (0.46) ADAM17EPHX2TSHRALDH1A1CYP3A4
SCHEMBL297404 0.84 ADAM17 (0.45) ADAM17EPHX2TSHRALDH1A1CYP3A4

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-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2017-02-16 US disclosed
US-6080750-A FOR PROPHYLAXIS AND TREATMENT OF DISEASES CAUSED BY INFECTION BY ROTAVIRUS NIPPON SHOJI KAISHA LTD. (JP) 2000-06-27 US disclosed
EP-0806418-A2 Novel pyrimidine compound and anti-rotavirus agent NIPPON SHOJI KAISHA, LIMITED (JP) 1997-11-12 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 (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-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, SAV1 ADAM17 2930/4885EPHX2 3990/4885TSHR 4446/4885

“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.