SCHEMBL4817487

SCHEMBL4817487

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
BCHE P06276 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.37
P2RX7 Q99572 1/20 0.37
LMNA P02545 1/20 0.37
SOD1 P00441 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL4804118 0.89 PTPN2 (0.41) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4814622 0.85 TSHR (0.43) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4809454 0.83 MEN1 (0.46) MEN1KMT2ACYP3A4TDP1MAPT
SCHEMBL4810121 0.82 NPC1 (0.39) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4814183 0.81 HTR2C (0.39) NPC1RAB9AMEN1KMT2ABCHE
SCHEMBL4812917 0.81 ADRB2 (0.42) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4811528 0.81 NPC1 (0.41) NPC1RAB9AATMBCHECYP3A4
SCHEMBL4812400 0.81 NPC1 (0.43) NPC1RAB9AMEN1KMT2ABCHE
SCHEMBL4807303 0.80 NPC1 (0.37) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4812586 0.80 HTR2C (0.42) NPC1RAB9AMEN1KMT2ABCHE

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 2 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

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 3676/4885MEN1 2837/4885

“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.