SCHEMBL497402

SCHEMBL497402

O=C(O)C(OCc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PTPN1 P18031 1/20 0.42
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP1A2 P05177 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
LMNA P02545 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
MEN1 O00255 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
SCHEMBL8717382 0.85 KMT2A (0.44) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL10591841 0.81 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL10922628 0.81 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL10659412 0.79 ALDH1A1 (0.44) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL29140121 0.78 ALOX15 (0.45) ALDH1A1KMT2ATDP1L3MBTL1TSHR
SCHEMBL3435120 0.78 ALDH1A1 (0.47) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL2443032 0.77 CHRM2 (0.54) ALDH1A1KMT2AL3MBTL1SLC6A3TSHR
SCHEMBL4952574 0.76 ALDH1A1 (0.48) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL4541197 0.76 CHRM2 (0.52) ALDH1A1KMT2ASLC6A3TSHRHIF1A
SCHEMBL10434694 0.76 NPC1 (0.46) ALDH1A1KMT2ASLC6A3TSHRHIF1A

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428524-B2 Synthetic process for the manufacture of ecteinascidin compounds PHARMA MAR, S.A. (ES) 2016-08-30 US disclosed
EP-2576569-B1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS AND INTERMEDIATES PHARMA MAR SA (ES) 2015-01-14 EP disclosed
US-8541600-B2 11-aza, 11-thia and 11-oxa sterol compounds and compositions Harbor Therapeutics, Inc. (US) 2013-09-24 US disclosed
EP-2576569-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS Pharma Mar S.A. (ES) 2013-04-10 EP disclosed
US-20130066067-A1 Synthetic Process for the Manufacture of Ecteinascidin Compounds PHARMA MAR, S.A. (ES) 2013-03-14 US disclosed
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS BIOVIE INC. 2012-04-26 US disclosed
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions BIOVIE INC. 2012-02-16 US disclosed
US-8106036-B2 Pharmaceutical compositions-4 HARBOR BIOSCIENCES, INC. (US) 2012-01-31 US disclosed
WO-2011147828-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS PHARMA MAR, S.A. (ES) 2011-12-01 WO disclosed
US-20110218162-A1 15-THIA STEROID COMPOUNDS AND COMPOSITIONS FRINCKE JAMES M 2011-09-08 US disclosed
EP-1422234-A2 Immunomodulatory steroids, in particular the hemihydrate of 16.alpha.-bromoepiandrosterone Hollis-Eden Pharmaceuticals Inc. (US) 2004-05-26 EP disclosed
US-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 BIOVIE INC. 2004-05-20 US disclosed
US-20040043973-A1 Pharmaceutical compositions and treatment methods BIOVIE INC. 2004-03-04 US disclosed
EP-1372664-A1 USE OF CERTAIN STEROIDS FOR TREATMENT OF BLOOD CELL DEFICIENCIES Hollis-Eden Pharmaceuticals Inc. (US) 2004-01-02 EP disclosed
US-6667299-B1 16-alpha-bromo-3-beta-hydroxy-5-alpha-androstan-17-one hemihydrate; 16-alpha-bromoepiandrosterone; steroid; immune modulator HOLLIS-EDEN PHARMACEUTICALS, INC. 2003-12-23 US disclosed
US-20030083231-A1 Blood cell deficiency treatment method BIOVIE INC. 2003-05-01 US disclosed
US-20030060425-A1 Immune modulation method using steroid compounds BIOVIE INC. 2003-03-27 US disclosed
WO-2002069977-A1 USE OF CERTAIN STEROIDS FOR TREATMENT OF BLOOD CELL DEFICIENCIES HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2002-09-12 WO disclosed
EP-1223941-A2 THERAPEUTIC TREATMENTS COMPRISING ADMINISTRATOIN OF CERTAIN STEROIDS FOR BLOOD CELL DEFICIENCIES Hollis-Eden Pharmaceuticals Inc. (US) 2002-07-24 EP disclosed
WO-2001030802-A2 THERAPEUTIC TREATMENTS COMPRISING ADMINISTRATION OF CERTAIN STEROIDS FOR BLOOD CELL DEFICIENCIES HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2001-05-03 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 (8 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-20030060425-A1 Immune modulation method using steroid compounds HSD3B1, NR5A1, HSD17B1 ALDH1A1 2419/4885KMT2A 2964/4885TDP1 3466/4885
US-20030083231-A1 Blood cell deficiency treatment method THPO, HPGDS, MPL ALDH1A1 1150/4885KMT2A 3514/4885TDP1 1236/4885
US-20130066067-A1 Synthetic Process for the Manufacture of Ecteinascidin Compounds SERPINH1, ERLIN2, PTMA ALDH1A1 3310/4885KMT2A 4417/4885TDP1 4070/4885
US-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 HSD3B1, IL4, HSD17B7 ALDH1A1 2511/4885KMT2A 2980/4885TDP1 3071/4885
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 ALDH1A1 1204/4885KMT2A 2647/4885TDP1 1614/4885
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions CYP51A1, HSD11B1, HSD3B1 ALDH1A1 1545/4885KMT2A 1198/4885TDP1 1701/4885
US-20110218162-A1 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 ALDH1A1 1204/4885KMT2A 2647/4885TDP1 1614/4885
US-20040043973-A1 Pharmaceutical compositions and treatment methods HSD17B1, HSD17B7, HSD17B3 ALDH1A1 2130/4885KMT2A 2775/4885TDP1 2430/4885

“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.