SCHEMBL12430799

SCHEMBL12430799

C=C(C)C(=O)OC(C)(C)CCOC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.40
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
PRKCA P17252 1/20 0.38
CYP17A1 P05093 4/20 0.38
CYP19A1 P11511 4/20 0.38
ATM Q13315 1/20 0.36
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL11299461 0.82 ALDH1A1 (0.48) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL15052306 0.82 NPSR1 (0.40) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8489891 0.78 THRB (0.50) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL15071778 0.77 NPSR1 (0.48) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL18031825 0.77 CYP17A1 (0.38) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1960823 0.76 THRB (0.48) ALDH1A1
SCHEMBL16807402 0.76 NPSR1 (0.47) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7131314 0.75 ALDH1A1 (0.42) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7120797 0.75 ALDH1A1 (0.42) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL134550 0.75 CYP17A1 (0.51) NPSR1ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130164674-A1 NOVEL ACRYL MONOMER, POLYMER AND RESIST COMPOSITION COMPRISING SAME KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2013-06-27 US disclosed
US-20130164674-A1 NOVEL ACRYL MONOMER, POLYMER AND RESIST COMPOSITION COMPRISING SAME KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2013-06-27 US disclosed
US-20130164674-A1 NOVEL ACRYL MONOMER, POLYMER AND RESIST COMPOSITION COMPRISING SAME KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2013-06-27 US disclosed
US-7977442-B2 Radiation-sensitive composition, polymer and monomer JSR CORPORATION (JP) 2011-07-12 US disclosed
US-7977442-B2 Radiation-sensitive composition, polymer and monomer JSR CORPORATION (JP) 2011-07-12 US disclosed
US-20100331440-A1 RADIATION-SENSITIVE COMPOSITION, POLYMER AND MONOMER JSR CORPORATION (JP) 2010-12-30 US disclosed
US-20100331440-A1 RADIATION-SENSITIVE COMPOSITION, POLYMER AND MONOMER JSR CORPORATION (JP) 2010-12-30 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-20130164674-A1 NOVEL ACRYL MONOMER, POLYMER AND RESIST COMPOSITION COMPRISING SAME SMC1A, SMCHD1, SMC2 NPSR1 3301/4885ALDH1A1 652/4885MEN1 1959/4885
US-20100331440-A1 RADIATION-SENSITIVE COMPOSITION, POLYMER AND MONOMER ALG1, MRE11, PCNA NPSR1 3881/4885ALDH1A1 2187/4885MEN1 1714/4885

“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.