SCHEMBL3734266

SCHEMBL3734266

CCCCC(=[NH+][O-])c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.56
ESR1 P03372 10/20 0.55
ESR2 Q92731 5/20 0.55
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
PTGS2 P35354 3/20 0.42
ADRA2A P08913 3/20 0.42
ADORA3 P0DMS8 3/20 0.42
TACR2 P21452 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL27798133 0.85 HTR7 (0.56) HSD17B3ESR1ESR2PTGS2PTGS1
SCHEMBL27798187 0.85 HDAC3 (0.41) HSD17B3ESR1ESR2ALDH1A1MEN1
SCHEMBL39274 0.85 CES2 (0.55) HSD17B3ESR1ESR2PTGS2ALDH1A1
SCHEMBL27819249 0.82 USP5 (0.40) HSD17B3ESR1ESR2SMN1; SMN2CYP2C9
SCHEMBL27819285 0.82 ABAT (0.39) HSD17B3ESR1ESR2LMNAADRA2A
SCHEMBL8412560 0.78 CES2 (0.57) HSD17B3ESR1PTGS2
SCHEMBL7860414 0.77 LMNA (0.51) LMNACYP1A2CYP2C19SMN1; SMN2PTGS2
SCHEMBL27819250 0.76 HDAC1 (0.47) ESR1LMNASMN1; SMN2PTGS2ALDH1A1
SCHEMBL7187984 0.72 HSD17B3 (0.60) HSD17B3ESR1ESR2LMNACYP1A2
SCHEMBL420677 0.72 HSD17B3 (1.00) HSD17B3ESR1ESR2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3340972-A1 METHOD OF TRANSPORTING AN AGENT ACROSS BLOOD-BRAIN, BLOOD-COCHLEAR OR BLOOD-CEREBROSPINAL FLUID BARRIER Oklahoma Medical Research Foundation (US) 2018-07-04 EP claimed
WO-2017048778-A1 METHOD OF TRANSPORTING AN AGENT ACROSS BLOOD-BRAIN, BLOOD-COCHLEAR OR BLOOD-CEREBROSPINAL FLUID BARRIER OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2017-03-23 WO claimed
EP-2054047-B1 METHODS FOR TREATING ACUTE ACOUSTIC TRAUMA HOUGH EAR INST (US) 2014-12-17 EP claimed
US-8420595-B2 Methods for treating acute acoustic trauma OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2013-04-16 US claimed
US-20100022458-A1 METHODS FOR TREATING ACUTE ACOUSTIC TRAUMA OKLAHOMA MEDICAL RESEARCH FOUNDATION 2010-01-28 US claimed
EP-2054047-A2 METHODS FOR TREATING ACUTE ACOUSTIC TRAUMA Hough Ear Institute (US) 2009-05-06 EP claimed
WO-2008013866-A2 METHODS FOR TREATING ACUTE ACOUSTIC TRAUMA HOUGH EAR INSTITUTE (US) 2008-01-31 WO claimed
EP-2670403-B1 METHODS FOR TREATING BRAIN INJURY HOUGH EAR INST (US) 2021-08-18 EP disclosed
US-11020354-B2 Formulations of n-acetylcysteine and uses thereof OTOLOGIC PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-20210137861-A1 METHODS FOR REDUCING ACCUMULATED PATHOLOGIC TAU PROTEIN HOUGH EAR INSTITUTE (US) 2021-05-13 US disclosed
US-20210069354-A1 METHOD OF TRANSPORTING AN AGENT ACROSS BLOOD-BRAIN, BLOOD-COCHLEAR OR BLOOD-CEREBROSPINAL FLUID BARRIER OKLAHOMA MEDICAL RESEARCH FOUNDATION 2021-03-11 US disclosed
EP-3787750-A1 METHODS FOR REDUCING ACCUMULATED PATHOLOGIC TAU PROTEIN Hough Ear Institute (US) 2021-03-10 EP disclosed
US-20200164021-A1 METHODS FOR ENHANCING SYNAPTOGENESIS AND NEURITOGENESIS HOUGH EAR INSTITUTE (US) 2020-05-28 US disclosed
EP-2670403-A1 METHODS FOR TREATING BRAIN INJURY Hough Ear Institute (US) 2013-12-11 EP disclosed
US-8420595-B2 Methods for treating acute acoustic trauma OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2013-04-16 US disclosed
WO-2012106654-A1 METHODS FOR TREATING BRAIN INJURY HOUGH EAR INSTITUTE (US) 2012-08-09 WO disclosed
US-20120172435-A1 METHODS FOR TREATING ACUTE ACOUSTIC TRAUMA OKLAHOMA MEDICAL RESEARCH FOUNDATION 2012-07-05 US disclosed
US-20100022458-A1 METHODS FOR TREATING ACUTE ACOUSTIC TRAUMA OKLAHOMA MEDICAL RESEARCH FOUNDATION 2010-01-28 US disclosed
EP-2054047-A2 METHODS FOR TREATING ACUTE ACOUSTIC TRAUMA Hough Ear Institute (US) 2009-05-06 EP disclosed
WO-2008013866-A2 METHODS FOR TREATING ACUTE ACOUSTIC TRAUMA HOUGH EAR INSTITUTE (US) 2008-01-31 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 (6 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-20100022458-A1 METHODS FOR TREATING ACUTE ACOUSTIC TRAUMA GSR, SLC25A20, TXN2 HSD17B3 3411/4885ESR1 2601/4885ESR2 1906/4885
US-11020354-B2 Formulations of n-acetylcysteine and uses thereof MGMT, GCLC, AANAT HSD17B3 4185/4885ESR1 4733/4885ESR2 4131/4885
US-20200164021-A1 METHODS FOR ENHANCING SYNAPTOGENESIS AND NEURITOGENESIS NLN, NCSTN, NES HSD17B3 3050/4885ESR1 4869/4885ESR2 4611/4885
US-20210137861-A1 METHODS FOR REDUCING ACCUMULATED PATHOLOGIC TAU PROTEIN MAPT, PRNP, PSEN2 HSD17B3 3065/4885ESR1 4816/4885ESR2 4138/4885
US-20120172435-A1 METHODS FOR TREATING ACUTE ACOUSTIC TRAUMA TXN2, TXN, ATF1 HSD17B3 3154/4885ESR1 4762/4885ESR2 4134/4885
US-20210069354-A1 METHOD OF TRANSPORTING AN AGENT ACROSS BLOOD-BRAIN, BLOOD-COCHLEAR OR BLOOD-CEREBROSPINAL FLUID BARRIER NUCB2, SPNS2, CSTB HSD17B3 2421/4885ESR1 4623/4885ESR2 2986/4885

“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.