SCHEMBL2399541

SCHEMBL2399541

CCCC[Si](C)(C)OOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.66
LMNA P02545 2/20 0.66
MAPT P10636 2/20 0.66
RECQL P46063 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
STS P08842 9/20 0.62
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA9 Q16790 3/20 0.61
KDM4E B2RXH2 2/20 0.61
ESR1 P03372 2/20 0.61
ESR2 Q92731 2/20 0.61
ABCC4 O15439 1/20 0.61
CYP2C9 P11712 1/20 0.61
ABCC1 P33527 1/20 0.61
SLCO1B1 Q9Y6L6 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP3A4 P08684 3/20 0.58

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
SCHEMBL6691697 0.85 HSD17B1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL10134113 0.85 HSD17B1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL1027643 0.82 HSD17B1 (0.83) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL14044784 0.81 HSD17B1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL11672003 0.81 HSD17B1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL8034790 0.81 STS (0.72) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL11671118 0.81 HSD17B1 (0.78) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5527434 0.81 HSD17B1 (0.78) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6684274 0.81 HSD17B1 (0.84) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL14416886 0.80 HSD17B1 (0.76) HSD17B1LMNAMAPTRECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111409-B1 NOVEL CATIONIC 17 ALPHA- SUBSTITUTED-ESTRADIOL DERIVATIVES USEFUL AS ANTI-CANCER AGENT COUNCIL SCIENT IND RES (IN) 2012-06-27 EP disclosed
US-8012952-B2 Cationic 17 α-substituted-estradiol derivatives useful as anti-cancer agent COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-09-06 US disclosed
EP-1023315-B1 METHODS AND COMPOSITIONS FOR DESTRUCTION OF SELECTED PROTEINS SLOAN KETTERING INST CANCER (US) 2010-03-10 EP disclosed
EP-2111409-A1 NOVEL CATIONIC 17 ALPHA- SUBSTITUTED-ESTRADIOL DERIVATIVES USEFUL AS ANTI-CANCER AGENT Council of Scientific&Industrial Research (IN) 2009-10-28 EP disclosed
US-20090062230-A1 NOVEL CATIONIC 17 ALPHA-SUBSTITUTED-ESTRADIOL DERIVATIVES USEFUL AS ANTI-CANCER AGENT COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-03-05 US disclosed
WO-2008099414-A1 NOVEL CATIONIC 17 α- SUBSTITUTED-ESTRADIOL DERIVATIVES USEFUL AS ANTI-CANCER AGENT COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-08-21 WO disclosed
EP-1023315-A4 METHODS AND COMPOSITIONS FOR DESTRUCTION OF SELECTED PROTEINS SLOAN KETTERING INSTITUTEFOR C (US) 2004-12-29 EP disclosed
US-6670348-B1 Antitumor geldanamycins SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-12-30 US disclosed
EP-1023315-A1 METHODS AND COMPOSITIONS FOR DESTRUCTION OF SELECTED PROTEINS Sloan-Kettering Institute For Cancer Research (US) 2000-08-02 EP disclosed
WO-1998051702-A1 METHODS AND COMPOSITIONS FOR DESTRUCTION OF SELECTED PROTEINS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1998-11-19 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-20090062230-A1 NOVEL CATIONIC 17 ALPHA-SUBSTITUTED-ESTRADIOL DERIVATIVES USEFUL AS ANTI-CANCER AGENT ESR2, ESR1, GPER1 HSD17B1 26/4885LMNA 656/4885MAPT 4838/4885

“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.