SCHEMBL14417703

SCHEMBL14417703

Cc1c(C(OCC(=O)O)(c2ccccc2)c2ccccc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.55
▸ MEN1 O00255 3/20 0.53
▸ CES2 O00748 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ BRCA1 P38398 2/20 0.53
▸ BLM P54132 2/20 0.53
▸ EED O75530 3/20 0.51
▸ SUZ12 Q15022 3/20 0.51
▸ EZH2 Q15910 3/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ EPAS1 Q99814 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ APAF1 O14727 1/20 0.51
▸ TERT O14746 1/20 0.51
▸ LMNA P02545 1/20 0.51

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
SCHEMBL14417705 0.84 IDO1 (0.62) IDO1MEN1CES2ALDH1A1HPGD
SCHEMBL14417745 0.73 IDO1 (0.55) IDO1MEN1CES2ALDH1A1HPGD
SCHEMBL14417704 0.72 MEN1 (0.50) IDO1MEN1CES2ALDH1A1HPGD
Tanshinone Iia Sulfonic Acid SCHEMBL14417738 0.72 MEN1 (0.80) IDO1MEN1CES2ALDH1A1HPGD
SCHEMBL14417741 0.72 MEN1 (0.67) IDO1MEN1CES2ALDH1A1HPGD
SCHEMBL28411969 0.72 MEN1 (0.67) IDO1MEN1CES2ALDH1A1HPGD
SCHEMBL14417726 0.70 MEN1 (0.64) IDO1MEN1CES2ALDH1A1HPGD
SCHEMBL14417881 0.70 MEN1 (0.80) IDO1MEN1CES2ALDH1A1HPGD
SCHEMBL14417699 0.69 MEN1 (0.63) IDO1MEN1CES2ALDH1A1HPGD
SCHEMBL28841602 0.69 MEN1 (0.63) IDO1MEN1CES2ALDH1A1HPGD

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-20070207989-A1 DITERPENE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR, CANCER AND INFLAMMATORY DISEASES SAVIPU PHARMACEUTICALS (US) 2007-09-06 — — 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-20070207989-A1 DITERPENE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR, CANCER AND INFLAMMATORY DISEASES NFKBIA, EDNRA, EDNRB IDO1 1339/4885MEN1 3639/4885CES2 4449/4885

“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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