SCHEMBL19684903

SCHEMBL19684903

CCCCOc1cccc2c1C(=O)N[C@@H](C)CO2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.37
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
TP53 P04637 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
CYP19A1 P11511 1/20 0.34
MTNR1A P48039 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL12749327 0.76 TSHR (0.34) PTK2CYP19A1TSHR
SCHEMBL13801962 0.74 HTR2A (0.41) TP53LMNAMAPTTHRBCYP19A1
SCHEMBL19684899 0.70 PRKCA (0.38) PPARGPPARD
SCHEMBL26101519 0.67 TSHR (0.53) CYP19A1TSHRPOLBALDH1A1
SCHEMBL21505717 0.67 TSHR (0.53) CYP19A1TSHRPOLBALDH1A1
SCHEMBL34468204 0.65 HTR2A (0.43) CYP2C9CYP2C19TP53LMNAALDH1A1
SCHEMBL12714486 0.65 BRD4 (0.35) PTK2MAPT
SCHEMBL4491478 0.65 BRD4 (0.35) PTK2MAPT
SCHEMBL4491472 0.65 BRD4 (0.35) PTK2MAPT
SCHEMBL16076555 0.65 KCNA3 (0.62) CYP1A2CYP2C9CYP2C19MAPTCYP19A1

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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP PTK2 3988/4885CYP1A2 2585/4885CYP2C9 3026/4885

“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.