SCHEMBL13624923

SCHEMBL13624923

COc1ccc2c(c1)C(=O)C(O)=C(CC=C(C)C)C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
PKM P14618 1/20 0.52
CDC25A P30304 1/20 0.52
CDC25B P30305 1/20 0.52
RPS6KA3 P51812 1/20 0.52
GLO1 Q04760 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GPR35 Q9HC97 1/20 0.52
LCK P06239 3/20 0.46
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
CYP19A1 P11511 7/20 0.44

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
SCHEMBL29199280 0.85 LCK (0.47) MEN1MAPTKMT2AALDH1A1TP53
SCHEMBL30662472 0.85 LCK (0.47) MEN1MAPTKMT2AALDH1A1TP53
SCHEMBL30932112 0.85 LCK (0.47) MEN1MAPTKMT2AALDH1A1TP53
SCHEMBL29135591 0.85 LCK (0.47) MEN1MAPTKMT2AALDH1A1TP53
SCHEMBL24349487 0.82 DHODH (0.56) DHODHKDM4EMEN1MAPTKMT2A
SCHEMBL24348761 0.82 DHODH (0.56) DHODHKDM4EMEN1MAPTKMT2A
SCHEMBL18992129 0.81 DHODH (0.55) DHODHKDM4EMEN1MAPTKMT2A
SCHEMBL18992123 0.81 DHODH (0.55) DHODHKDM4EMEN1MAPTKMT2A
Lapachol SCHEMBL157255 0.79 DHODH (0.79) DHODHKDM4EMEN1MAPTKMT2A
Lapachol SCHEMBL31492698 0.79 DHODH (0.79) DHODHKDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES PROGEN PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CELLGATE, INC. 2008-08-14 US disclosed
US-7279502-B2 Polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. (US) 2007-10-09 US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 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 (2 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-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, KLK3, FOLH1 DHODH 436/4885KDM4E 3918/4885MEN1 524/4885
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, CTSL, CTSV DHODH 415/4885KDM4E 3776/4885MEN1 894/4885

“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.