SCHEMBL3486832

SCHEMBL3486832

CCOC(=O)CCC(C)(C)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.47
CNR2 P34972 3/20 0.47
POLB P06746 1/20 0.43
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAOB P27338 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1831814 0.87 KMT2A (0.45) CNR1CNR2POLBCYP4F2CYP4A11
SCHEMBL1809731 0.87 GRIN2D (0.49) CNR1CNR2POLBCYP4F2CYP4A11
SCHEMBL4677396 0.87 CNR1 (0.42) CNR1CNR2POLBCYP4F2CYP4A11
SCHEMBL3486385 0.86 POLB (0.44) CNR1CNR2POLBCYP4F2CYP4A11
SCHEMBL3485782 0.84 SMN1; SMN2 (0.41) CNR1CNR2POLBCYP4F2CYP4A11
SCHEMBL3487288 0.83 HSD11B1 (0.42) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4677964 0.82 KMT2A (0.41) CNR1CNR2POLBCYP4F2CYP4A11
SCHEMBL6086541 0.79 CNR1 (0.47) CNR1CNR2MAOBMEN1KMT2A
SCHEMBL6998994 0.79 ALDH1A1 (0.53) CNR1CNR2MAPTNPC1RAB9A
SCHEMBL17276104 0.77 CNR1 (0.43) CNR1CNR2POLBCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP disclosed
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 CNR1 767/4885CNR2 1542/4885POLB 4619/4885
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 CNR1 1362/4885CNR2 2587/4885POLB 1374/4885

“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.