SCHEMBL4812586

SCHEMBL4812586

COC(=O)C1(c2ccc(C)cc2)CCCC1OC(=O)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
P2RX7 Q99572 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
BCHE P06276 1/20 0.35
ADAM17 P78536 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4814183 0.93 HTR2C (0.39) HTR2CMAPTP2RX7NPC1RAB9A
SCHEMBL4810288 0.90 SLC22A1 (0.40) HTR2CNPC1RAB9AMEN1KMT2A
SCHEMBL4809391 0.87 TSHR (0.39) HTR2CMAPTHTTP2RX7MEN1
SCHEMBL4813911 0.86 HTR2C (0.46) HTR2CMEN1KMT2A
SCHEMBL4815711 0.84 TDP1 (0.44) HTR2CMAPTNPC1RAB9AMEN1
SCHEMBL4808284 0.84 HTR2C (0.46) HTR2CMAPTMEN1KMT2AADAM17
SCHEMBL4808702 0.83 SLC22A1 (0.46)
SCHEMBL4814920 0.82 HTR2C (0.42) HTR2CMAPTADAM17ALDH1A1
SCHEMBL4815646 0.81 SMN1; SMN2 (0.41) HTR2CMAPTNPC1RAB9AMEN1
SCHEMBL4817323 0.80 ALDH1A1 (0.40) HTR2CMAPTMEN1KMT2ABCHE

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 HTR2C 3278/4885MAPT 4766/4885HTT 4302/4885

“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.