SCHEMBL4058749

SCHEMBL4058749

CCCCC[C@H]1CC[C@H](c2ccc(OC(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
CYP2C9 P11712 1/20 0.46
ELANE P08246 1/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
GPR119 Q8TDV5 7/20 0.38
ESR2 Q92731 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36

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
SCHEMBL4058753 1.00 KDM1A (0.46) KDM1ACYP2C9ELANEMAPTALDH1A1
SCHEMBL4063867 0.91 CYP2C9 (0.56) KDM1ACYP2C9ELANEMAPTALDH1A1
SCHEMBL4063870 0.91 CYP2C9 (0.56) KDM1ACYP2C9ELANEMAPTALDH1A1
SCHEMBL4055221 0.85 ELANE (0.60) KDM1ACYP2C9ELANEMAPTALDH1A1
SCHEMBL20805906 0.85 CYP2C9 (0.50) CYP2C9MAPTALDH1A1LMNARAB9A
SCHEMBL23635384 0.84 CYP2C9 (0.47) CYP2C9ELANEMAPTALDH1A1LMNA
SCHEMBL8302303 0.84 CYP2C9 (0.49) CYP2C9MAPTALDH1A1LMNARAB9A
SCHEMBL9187465 0.82 KMT2A (0.49) CYP2C9MAPTALDH1A1LMNARAB9A
SCHEMBL9187472 0.82 KMT2A (0.49) CYP2C9MAPTALDH1A1LMNARAB9A
SCHEMBL10483925 0.82 CYP2C9 (0.48) CYP2C9MAPTALDH1A1LMNARAB9A

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-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
EP-1375463-A1 OPTICALLY ACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Kansai Research Institute, Inc. (JP) 2004-01-02 EP disclosed
US-20030211421-A1 Optically active compound and photosensitive resin composition KRI, INC. (JP) 2003-11-13 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-20030211421-A1 Optically active compound and photosensitive resin composition ARCN1, RAD51, PAM KDM1A 113/4885CYP2C9 1479/4885ELANE 422/4885

“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.