SCHEMBL9947108

SCHEMBL9947108

CCC(CC)(COC(=O)c1ccccc1)CC(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.65
HIF1A Q16665 1/20 0.65
TDP1 Q9NUW8 3/20 0.50
CYP2D6 P10635 2/20 0.50
SLC6A3 Q01959 2/20 0.50
HTR1A P08908 1/20 0.50
SCN1A P35498 1/20 0.50
SCN5A Q14524 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.46
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 3/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL9945704 0.97 MAPK1 (0.65) MAPK1HIF1ATDP1CYP2D6SLC6A3
SCHEMBL1787931 0.92 MAPK1 (0.71) MAPK1HIF1ATDP1CYP2D6SLC6A3
SCHEMBL235921 0.89 MAPK1 (0.81) MAPK1HIF1ATDP1CYP2D6SLC6A3
SCHEMBL1786754 0.87 MAPK1 (0.79) MAPK1HIF1ATDP1CYP2D6SLC6A3
SCHEMBL9947121 0.87 MAPK1 (0.79) MAPK1HIF1ATDP1CYP2D6SLC6A3
SCHEMBL15233919 0.86 MAPK1 (0.58) MAPK1HIF1ATDP1CYP2D6SLC6A3
SCHEMBL20217140 0.84 MAPK1 (0.59) MAPK1HIF1ATDP1CYP2D6SLC6A3
SCHEMBL16045158 0.84 MAPK1 (0.59) MAPK1HIF1ATDP1CYP2D6SLC6A3
SCHEMBL812786 0.83 MAPK1 (0.71) MAPK1HIF1ATDP1CYP2D6SLC6A3
SCHEMBL505769 0.83 MAPK1 (0.71) MAPK1HIF1ATDP1CYP2D6SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-06-14 US disclosed
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-02 US disclosed
US-20080145338-A1 Acrylate-terminated poly(beta-amino esters); high throughput assay; biocompatability NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-06-19 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 (3 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-20080145338-A1 Acrylate-terminated poly(beta-amino esters); high throughput assay; biocompatability ACP1, ILK, BCAT2 MAPK1 2083/4885HIF1A 2413/4885TDP1 1859/4885
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF PARN, PARG, POLL MAPK1 4777/4885HIF1A 2383/4885TDP1 57/4885
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof PARN, PARG, POLL MAPK1 4777/4885HIF1A 2383/4885TDP1 57/4885

“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.