SCHEMBL4812917

SCHEMBL4812917

COC(=O)C1(C(C)C)CCCC1OC(=O)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.36
BCHE P06276 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.35
P2RX7 Q99572 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNA3 P22001 1/20 0.35
PIK3CD O00329 1/20 0.34

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
SCHEMBL4804753 0.91 ADRB2 (0.40) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL4812623 0.89 TSHR (0.43) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL4811857 0.84 TRPM8 (0.43) TSHRKMT2AMAPTLMNAMEN1
SCHEMBL4817487 0.81 NPC1 (0.41) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL4811528 0.81 NPC1 (0.41) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL4811738 0.81 TDP1 (0.43) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL4864583 0.81 ADRB2 (0.40) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL4812400 0.80 NPC1 (0.43) NPC1RAB9ABCHEKMT2AMAPT
SCHEMBL4810121 0.80 NPC1 (0.39) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL4806581 0.79 ADRB2 (0.44) ADRB2ADRB1ADRB3NPC1RAB9A

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-7388103-B2 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US disclosed
US-20060094843-A1 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-05-04 US disclosed
WO-2006045246-A1 CYCLOPENTANE CARBOXYLATE COMPOUNDS, PROCESS AND INTERMEDIATES FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-05-04 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 (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-20060094843-A1 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof C5, C1S, AKR1C3 ADRB2 1572/4885ADRB1 1538/4885ADRB3 1177/4885

“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.