SCHEMBL5144035

SCHEMBL5144035

CCCCOc1ccc(C(C)(C)C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ LTA4H P09960 2/20 0.47
▸ NR5A1 Q13285 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PLK1 P53350 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44

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
SCHEMBL7752961 0.85 NQO1 (0.56) TSHRCA12CA1CA2CA7
SCHEMBL13282764 0.84 CACNA1B (0.50) TSHRLTA4HLMNACYP2D6
SCHEMBL4738149 0.80 SMN1; SMN2 (0.58) TSHRCA12CA1CA2CA7
SCHEMBL9593021 0.80 HRH3 (0.57) TSHRCA12CA1CA2CA7
SCHEMBL3538884 0.79 SMN1; SMN2 (0.41) TSHRTP53ALDH1A1LMNAMAPT
SCHEMBL20232609 0.77 LTA4H (0.50) TSHRCA12CA1CA2CA7
SCHEMBL9476152 0.77 HRH3 (0.59) TSHRLTA4HNR5A1TP53ALDH1A1
SCHEMBL13930950 0.77 LTA4H (0.50) TSHRCA12CA1CA2CA7
SCHEMBL7855901 0.77 NR5A1 (0.58) TSHRLTA4HNR5A1TP53LMNA
SCHEMBL10084514 0.77 HRH3 (0.64) —

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-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same SAI NIPPON PRINTING CO., LTD. (JP) 2007-11-22 — — US disclosed
WO-2005108374-A1 INSECTICIDAL DIAZOLE AND TRIAZOLE DERIVATIVES FMC CORPORATION (US) 2005-11-17 — — 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-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same CDH1, VIL1, TET1 TSHR 4725/4885CA12 646/4885CA1 263/4885

“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.

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