SCHEMBL3861387

SCHEMBL3861387

CC(C)C(=O)C1CC2CCC1C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD11B1 P28845 1/20 0.44
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNQ4 P56696 1/20 0.41
KCNQ5 Q9NR82 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 3/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
HTT P42858 2/20 0.37

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
SCHEMBL32688771 0.85 POLB (0.43) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL32688834 0.82 POLB (0.44) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL17777227 0.79 POLB (0.48) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL32689067 0.78 POLB (0.45) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL32689000 0.78 NPC1 (0.43) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL32689150 0.78 HPGD (0.48) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL32689213 0.78 POLB (0.45) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL32688820 0.77 POLB (0.44) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL2065143 0.76 POLB (0.46) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL32689244 0.76 POLB (0.50) POLBNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115400-A1 METHOD FOR PRODUCING SILICON COMPOUND, AND SILICON COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-04-16 US disclosed
US-7595338-B2 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2009-09-29 US disclosed
EP-1877377-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES Wyeth (US) 2008-01-16 EP disclosed
WO-2006118955-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES WYETH (US) 2006-11-09 WO disclosed
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2006-11-02 US disclosed
US-4128509-A FRAGRANCE MONSANTO COMPANY (US) 1978-12-05 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-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles TPMT, TH, HTR3C POLB 2192/4885NPC1 4132/4885RAB9A 2231/4885
US-20200115400-A1 METHOD FOR PRODUCING SILICON COMPOUND, AND SILICON COMPOUND SI, SIK1, CA1 POLB 773/4885NPC1 3325/4885RAB9A 3202/4885

“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.