SCHEMBL7688550

SCHEMBL7688550

CC(C)C(=O)c1c(O)cc(O)c2c(C(C)C)cc(=O)oc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.47
▸ FBP1 P09467 2/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.38
▸ CLK1 P49759 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ HIF1A Q16665 7/20 0.35
▸ EPAS1 Q99814 7/20 0.35
▸ PTGES O14684 2/20 0.33
▸ ALOX5 P09917 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 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
SCHEMBL7028753 0.80 HIF1A (0.52) FFAR1FBP1HCAR2MEN1KMT2A
SCHEMBL5348298 0.69 GPR55 (0.49) MEN1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL2573343 0.67 FFAR1 (0.53) FFAR1MEN1POLBKMT2APTGES
SCHEMBL9752926 0.66 FFAR1 (1.00) FFAR1FBP1MEN1CYP3A4KMT2A
SCHEMBL5341413 0.66 CYP3A4 (0.46) MEN1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL5914907 0.65 ALDH1A1 (0.53) HCAR2MEN1KMT2AHIF1AEPAS1
SCHEMBL5914896 0.64 ALDH1A1 (0.52) FBP1HCAR2MEN1POLBCYP3A4
SCHEMBL7607429 0.64 FFAR1 (0.53) FFAR1MEN1POLBKMT2A
SCHEMBL22840392 0.63 MAOB (0.67) POLBCYP3A4MAOB
Phloroisobutyrophenone SCHEMBL2150396 0.63 FFAR1 (0.68) FFAR1MEN1POLBCYP3A4KMT2A

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-20020013478-A1 Calanolide analogues and methods of their use SARAWAK MEDICHEM PHARMACEUTICALS,INC. 2002-01-31 — — 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-20020013478-A1 Calanolide analogues and methods of their use HAVCR2, ZC3HAV1, CYP51A1 FFAR1 4504/4885FBP1 2559/4885HCAR2 2943/4885

“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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