SCHEMBL18122007

SCHEMBL18122007

CN1CC[C@@H](O)[C@H](O)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.43
GBA1 P04062 3/20 0.39
GBA2 Q9HCG7 3/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
NGLY1 Q96IV0 1/20 0.39
GANAB Q14697 1/20 0.39
QDPR P09417 1/20 0.35
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL15314573 1.00 NCF1 (0.43) NCF1GBA1GBA2GAACYP1A2
SCHEMBL18122006 1.00 NCF1 (0.43) NCF1GBA1GBA2GAACYP1A2
SCHEMBL5321574 0.85
SCHEMBL5154229 0.85
SCHEMBL8205902 0.85
SCHEMBL5319624 0.85
SCHEMBL8320721 0.85
Hydrochloric Acid SCHEMBL28185007 0.83 GAA (0.38) NCF1GBA1GBA2GAACYP1A2
SCHEMBL16925361 0.83 CA1 (0.48) NCF1GBA1GBA2GAACYP1A2
SCHEMBL16903315 0.83 CA1 (0.48) NCF1GBA1GBA2GAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289212-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2016-10-06 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 (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-20160289212-A1 HEPATITIS B ANTIVIRAL AGENTS ZC3HAV1, HAVCR2, SLC10A1 NCF1 1351/4885GBA1 624/4885GBA2 1834/4885

“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.