SCHEMBL7028753

SCHEMBL7028753

CCCc1cc(=O)oc2c(C(=O)C(C)C)c(O)cc(O)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 9/20 0.52
EPAS1 Q99814 8/20 0.52
ALDH1A1 P00352 6/20 0.51
HTT P42858 2/20 0.51
FBP1 P09467 1/20 0.46
KDM4E B2RXH2 5/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR1 O14842 1/20 0.44
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 2/20 0.40
ERAP1 Q9NZ08 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HSD17B3 P37058 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL5914907 0.86 ALDH1A1 (0.53) HIF1AEPAS1ALDH1A1HTTKDM4E
SCHEMBL5914896 0.85 ALDH1A1 (0.52) HIF1AEPAS1ALDH1A1HTTFBP1
SCHEMBL14220135 0.82 ALDH1A1 (0.51) HIF1AEPAS1ALDH1A1HTTKDM4E
SCHEMBL7688550 0.80 FFAR1 (0.47) HIF1AEPAS1FBP1MEN1KMT2A
SCHEMBL8926817 0.76 ALDH1A1 (0.53) HIF1AEPAS1ALDH1A1HTTKDM4E
SCHEMBL13016681 0.72 ALDH1A1 (0.52) HIF1AALDH1A1HTTKDM4EGAA
SCHEMBL6652101 0.70 TSSK1B (0.48) HIF1AEPAS1ALDH1A1HTTKDM4E
SCHEMBL31152138 0.69 ALDH1A1 (0.83) ALDH1A1HTTKDM4EGAAMEN1
SCHEMBL3775925 0.69 ALDH1A1 (0.83) ALDH1A1HTTKDM4EGAAMEN1
SCHEMBL29934508 0.69 HIF1A (1.00) HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143952-B1 METHOD AND COMPOSITION FOR TREATING AND PREVENTING TUBERCULOSIS SARAWAK MEDICHEM PHARMACEUTICALS INC (US) 2003-02-26 EP disclosed
EP-1143952-A3 METHOD AND COMPOSITION FOR TREATING AND PREVENTING TUBERCULOSIS Sarawak Medichem Pharmaceuticals Inc. (US) 2002-09-11 EP disclosed
EP-1143952-A2 METHOD AND COMPOSITION FOR TREATING AND PREVENTING TUBERCULOSIS Sarawak Medichem Pharmaceuticals Inc. (US) 2001-10-17 EP disclosed
US-20010027209-A1 Method and composition for treating and preventing mycobacterium infections SARAWAK MEDICHEM PHARMACEUTICALS, INC. 2001-10-04 US disclosed
US-6277879-B1 VIRICIDES SARAWAK MEDICHEM PHARMACEUTICALS, INC. 2001-08-21 US disclosed
US-6268393-B1 CALANOLIDES AND ANALOGUES THEREOF SARAWAK MEDICHEM PHARMACEUTICALS 2001-07-31 US disclosed
WO-2000021514-A2 METHOD AND COMPOSITION FOR TREATING AND PREVENTING TUBERCULOSIS SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 2000-04-20 WO disclosed
US-5981770-A HIV REVERSE TRANSCRIPTASE INHIBITOR, VIRICIDE SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1999-11-09 US disclosed
US-5977385-A VIRICIDES SARAWAK MEDICHEM PHARMACEUTICALS (US) 1999-11-02 US disclosed
US-5892060-A REVERSE TRANSCRIPTASE INHIBITOR; AIDS THERAPY SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed
US-5872264-A BENZO(1,2-B:5,6--B?)TRIPYRAN-2,12-DIONES SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1999-02-16 US disclosed
US-5859050-A ADMINISTERING TO PREVENT OR TREAT A VIRAL INFECTION SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1999-01-12 US disclosed
WO-1998038193-A1 METHOD FOR THE PREPARATION OF (+)-CALANOLIDE A AND ANALOGUES THEREOF MEDICHEM RESEARCH, INC. (US) 1998-09-03 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-20010027209-A1 Method and composition for treating and preventing mycobacterium infections CYP51A1, DHCR7, CYP27A1 HIF1A 3316/4885EPAS1 3673/4885ALDH1A1 2628/4885

“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.