SCHEMBL13856769

SCHEMBL13856769

COC(=O)CC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 1.00
▸ SULT1E1 P49888 1/20 0.52
▸ FDPS P14324 5/20 0.36
▸ GGPS1 O95749 2/20 0.36
▸ CETP P11597 5/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ PTPN1 P18031 1/20 0.32
▸ CDC25A P30304 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.31
▸ HIF1A Q16665 1/20 0.30
▸ EPAS1 Q99814 1/20 0.30

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
SCHEMBL8667490 0.74 TSHR (0.59) TSHRSULT1E1FDPSGGPS1CETP
SCHEMBL14880592 0.73 TSHR (0.56) TSHRSULT1E1FDPSGGPS1ALDH1A1
SCHEMBL13446724 0.69 SULT1E1 (0.59) TSHRSULT1E1CETPALDH1A1MAPT
SCHEMBL13446722 0.68 SULT1E1 (1.00) TSHRSULT1E1CETPALDH1A1CYP3A4
SCHEMBL16010827 0.61 TSHR (0.44) TSHRFDPSGGPS1ALDH1A1CYP3A4
SCHEMBL16010828 0.61 TSHR (0.44) TSHRFDPSGGPS1ALDH1A1CYP3A4
SCHEMBL30697299 0.60 ESR1 (0.46) TSHRSULT1E1FDPSGGPS1ALDH1A1
SCHEMBL19770987 0.60 ESR1 (0.46) TSHRSULT1E1FDPSGGPS1CETP
SCHEMBL5013007 0.60 ESR1 (0.46) TSHRSULT1E1FDPSGGPS1CETP
SCHEMBL5013008 0.60 ESR1 (0.46) TSHRSULT1E1FDPSGGPS1CETP

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-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 — — 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-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB TSHR 3810/4885SULT1E1 1450/4885FDPS 429/4885

“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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