SCHEMBL14228563

SCHEMBL14228563

CCc1ccc(C)c(OCC(CC)CC)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 7/20 0.40
▸ PKM P14618 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.36
▸ BCHE P06276 4/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ THRA P10827 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ SCN4A P35499 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ VDR P11473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ADRB2 P07550 1/20 0.33

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
SCHEMBL13475542 0.82 TSHR (0.47) ACHEALOX15HTTSMN1; SMN2CYP1A2
SCHEMBL14183053 0.80 PKM (0.45) PKMSLC22A12HTTSMN1; SMN2KDM4E
SCHEMBL13475564 0.79 VDR (0.39) ACHETHRATHRBSCN4AALOX15
SCHEMBL14200182 0.77 VDR (0.43) ACHESMN1; SMN2VDRKDM4ECYP1A2
SCHEMBL28385292 0.75 PKM (0.47) PKMSLC22A12SMN1; SMN2CYP1A2
SCHEMBL12044516 0.75 TSHR (0.44) PKMSLC22A12SMN1; SMN2KDM4ECYP1A2
SCHEMBL10271333 0.75 PKM (0.42) PKMSLC22A12ALOX15HTTSMN1; SMN2
SCHEMBL10285685 0.74 KDM4E (0.58) SCN4AALOX15HTTSMN1; SMN2KDM4E
SCHEMBL8303063 0.74 PKM (0.44) PKMSLC22A12KEAP1NFE2L2SMN1; SMN2
SCHEMBL20708116 0.74 PKM (0.41) ACHEPKMBCHEHTTSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 — — 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 ACHE 4329/4885PKM 3014/4885SLC22A12 362/4885

“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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