SCHEMBL19040102

SCHEMBL19040102

CC1CCC(O)(Cn2cc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ POLB P06746 3/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ LMNA P02545 4/20 0.40
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ MAPK1 P28482 1/20 0.37

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 SCHEMBL17141091 0.86 L3MBTL1 (0.42) GAACYP2C9CYP2C19L3MBTL1GABRA1
SCHEMBL17150396 0.84 L3MBTL1 (0.46) GAACYP2C9CYP2C19L3MBTL1GABRA1
SCHEMBL17140840 0.79 L3MBTL1 (0.46) GAACYP2C9CYP2C19L3MBTL1GABRA1
SCHEMBL31361627 0.75 ALDH1A1 (0.47) GAACYP2C9CYP2C19GABRA1GABRB2
SCHEMBL14801517 0.74 MAPT (0.43) GAACYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL20555515 0.74 ALDH1A1 (0.45) GAACYP2C9CYP2C19L3MBTL1GABRA1
SCHEMBL27034861 0.74 ALDH1A1 (0.42) GAACYP2C9CYP2C19L3MBTL1GABRA1
SCHEMBL23229761 0.72 POLB (0.40) GAACYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL20555774 0.71 ALDH1A1 (0.42) GAACYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL2519395 0.70 L3MBTL1 (0.48) GAACYP2C9CYP2C19L3MBTL1MAPT

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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 — — US disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 — — 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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 GAA 2633/4885CYP2C9 1909/4885CYP2C19 2330/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 GAA 2633/4885CYP2C9 1909/4885CYP2C19 2330/4885

“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.

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