SCHEMBL18573248

SCHEMBL18573248

C[C@H]1CCCC2(CCCCO2)C1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL18576605 1.00 CYP1A2 (0.35) CYP1A2ATML3MBTL1
SCHEMBL18576891 1.00 CYP1A2 (0.35) CYP1A2ATML3MBTL1
SCHEMBL16659519 0.94 CYP1A2 (0.36) CYP1A2ATML3MBTL1
SCHEMBL26050030 0.87 KDM4E (0.32) ATML3MBTL1
SCHEMBL8173461 0.87 KDM4E (0.32) ATML3MBTL1
SCHEMBL25102 0.87 ATM (0.30) ATML3MBTL1
SCHEMBL18899114 0.87 ATM (0.30) ATML3MBTL1
SCHEMBL8344135 0.87 KDM4E (0.32) ATML3MBTL1
SCHEMBL8166589 0.87 KDM4E (0.32) ATML3MBTL1
SCHEMBL24541 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170057993-A1 Ether Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed
US-20170057950-A1 Amide Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 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-20170057993-A1 Ether Compounds for Treatment of Medical Disorders CFD, TFPI, F12 CYP1A2 668/4885ATM 2410/4885L3MBTL1 3327/4885
US-20170057950-A1 Amide Compounds for Treatment of Medical Disorders CFD, TFPI, CFH CYP1A2 1689/4885ATM 1552/4885L3MBTL1 4111/4885

“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.