SCHEMBL12705206

SCHEMBL12705206

O=C(OC1CCCCC1=O)C(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 2/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL12705204 0.95 ALDH1A1 (0.39) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL12705208 0.88 ALDH1A1 (0.47) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL12705209 0.79 ALDH1A1 (0.43) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL17522503 0.76 ALDH1A1 (0.42) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL6028694 0.76 MAPT (0.52) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL22324061 0.76 MAPT (0.52) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL22323590 0.76 MAPT (0.52) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL12705158 0.75 POLB (0.40) ALDH1A1POLBUSP2KDM4EHSD17B10
SCHEMBL9813359 0.74 KDM4E (0.52) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL11091255 0.74 KDM4E (0.52) ALDH1A1POLBLMNAUSP2KDM4E

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-20110091808-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-21 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-20110091808-A1 PHOTORESIST COMPOSITION ASIC1, ASIC3, SUN2 ALDH1A1 2111/4885POLB 847/4885LMNA 3534/4885

“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.