SCHEMBL12410539

SCHEMBL12410539

CCCOC(=O)C1=CC(=O)OC1CC(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ESR1 P03372 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
KDR P35968 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAOB P27338 2/20 0.33
POLB P06746 1/20 0.33
STS P08842 1/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL1844172 0.86 GAA (0.40) ALDH1A1USP2GAATSHRHPGD
SCHEMBL30893395 0.74 ATM (0.40) ALDH1A1LMNATSHRHPGDSMN1; SMN2
SCHEMBL7961619 0.73 GAA (0.42) ALDH1A1USP2GAATSHRHPGD
SCHEMBL11525930 0.61 ALDH1A1 (0.41) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL10635475 0.60 ALDH1A1 (0.52) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL27380646 0.60 GAA (0.43) ALDH1A1USP2GAATSHRHPGD
SCHEMBL17070546 0.60 USP2 (0.41) ALDH1A1USP2GAATSHRHPGD
SCHEMBL16950194 0.60 TSHR (0.42) ALDH1A1USP2GAALMNATSHR
SCHEMBL18459949 0.59 LMNA (0.58) ALDH1A1GAALMNATSHRTDP1
SCHEMBL18675998 0.59 ALDH1A1 (0.60) ALDH1A1LMNATSHRTDP1ESR1

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-20110166301-A1 POLYESTERS, POLYURETHANES AND PROCESS FOR THEIR PRODUCTION KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2011-07-07 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-20110166301-A1 POLYESTERS, POLYURETHANES AND PROCESS FOR THEIR PRODUCTION PUF60, UFM1, B2M ALDH1A1 1502/4885USP2 336/4885GAA 2538/4885

“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.