SCHEMBL14884635

SCHEMBL14884635

O=C(P)OCC1CCC(n2cnc3c(=O)[nH]cnc32)O1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.71
▸ LMNA P02545 1/20 0.71
▸ ALB P02768 1/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ TYMP P19971 2/20 0.47
▸ GSK3A P49840 2/20 0.45
▸ RPS6KA3 P51812 2/20 0.45
▸ MAPK14 Q16539 2/20 0.45
▸ P2RX3 P56373 1/20 0.44
▸ ADORA3 P0DMS8 3/20 0.44
▸ STING1 Q86WV6 2/20 0.41
▸ HPRT1 P00492 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL12395247 0.90 ALDH1A1 (0.71) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL21540015 0.87 ALDH1A1 (0.73) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL14501117 0.84 ALDH1A1 (0.64) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL14501040 0.84 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1TYMP
Didanosine SCHEMBL5021456 0.83 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1TYMP
Didanosine SCHEMBL16695883 0.83 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1TYMP
Didanosine SCHEMBL1674335 0.83 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1TYMP
Didanosine SCHEMBL16695885 0.83 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1TYMP
Didanosine SCHEMBL3363 0.83 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1TYMP
Didanosine SCHEMBL16695888 0.83 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1TYMP

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-20140363482-A1 Bioerodible Sustained Release Drug Delivery Systems EyePoint Pharmaceuticals, Inc. 2014-12-11 — — US disclosed
US-20130101656-A1 IN SITU GELLING DRUG DELIVERY SYSTEM CONTROL DELIVERY SYSTEMS, INC. 2013-04-25 — — 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-20140363482-A1 Bioerodible Sustained Release Drug Delivery Systems ABCB11, ABCB1, PGF ALDH1A1 574/4885LMNA 4157/4885ALB 216/4885
US-20130101656-A1 IN SITU GELLING DRUG DELIVERY SYSTEM ABCB11, MMP1, IDE ALDH1A1 1254/4885LMNA 2989/4885ALB 1285/4885

“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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