SCHEMBL4811528

SCHEMBL4811528

COC(=O)C1(C2CCCC2)CCCC1OC(=O)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BCHE P06276 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.35
P2RX7 Q99572 1/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 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
SCHEMBL4812400 0.99 NPC1 (0.43) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4811155 0.90 TSHR (0.38) NPC1RAB9AKDM4EALDH1A1CYP3A4
SCHEMBL4809562 0.89 NPC1 (0.38) NPC1RAB9AKDM4EALDH1A1CYP3A4
SCHEMBL4812721 0.86 TSHR (0.40) NPC1RAB9AKDM4EALDH1A1NPSR1
SCHEMBL4806769 0.85 TSHR (0.40) NPC1RAB9AKDM4EALDH1A1NPSR1
SCHEMBL4815140 0.84 TSHR (0.41) CYP2D6TDP1MAPTLMNAATM
SCHEMBL4804786 0.83 LMNA (0.41) CYP3A4CYP2D6TDP1LMNAATM
SCHEMBL4817487 0.81 NPC1 (0.41) NPC1RAB9AALDH1A1BCHECYP3A4
SCHEMBL4812917 0.81 ADRB2 (0.42) NPC1RAB9ABCHEMAPTP2RX7
SCHEMBL4811538 0.81 TDP1 (0.43) NPC1RAB9AALDH1A1HPGDNPSR1

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 NPC1 1423/4885RAB9A 3676/4885KDM4E 2912/4885

“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.