SCHEMBL1176773

SCHEMBL1176773

C=Cc1ccccc1C=C.[KH]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
TSHR P16473 4/20 0.47
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
NFE2L2 Q16236 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
GSR P00390 1/20 0.32
AKT1 P31749 1/20 0.32
SLC9A1 P19634 1/20 0.31
TP53 P04637 1/20 0.31
HSD17B10 Q99714 2/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL473080 0.96 ALDH1A1 (0.63) ALDH1A1TSHRTDP1MEN1LMNA
SCHEMBL7638 0.96 ALDH1A1 (0.63) ALDH1A1TSHRTDP1MEN1LMNA
SCHEMBL29405187 0.96 ALDH1A1 (0.63) ALDH1A1TSHRTDP1MEN1LMNA
SCHEMBL8719955 0.93 ALDH1A1 (0.60) ALDH1A1TSHRTDP1MEN1LMNA
SCHEMBL11016199 0.93 ALDH1A1 (0.60) ALDH1A1TSHRTDP1MEN1LMNA
SCHEMBL9562250 0.93 ALDH1A1 (0.60) ALDH1A1TSHRTDP1MEN1LMNA
Ethylene SCHEMBL7946796 0.93 ALDH1A1 (0.60) ALDH1A1TSHRTDP1MEN1LMNA
Water SCHEMBL20379011 0.93 ALDH1A1 (0.60) ALDH1A1TSHRTDP1MEN1LMNA
SCHEMBL22496001 0.93 ALDH1A1 (0.60) ALDH1A1TSHRTDP1MEN1LMNA
Charcoal, Activated SCHEMBL6411785 0.93 ALDH1A1 (0.60) ALDH1A1TSHRTDP1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2063872-B1 CONTROLLED RELEASE ORAL DOSAGE FORMULATIONS COMPRISING A CORE AND ONE OR MORE BARRIER LAYERS JAGOTEC AG (CH) 2015-05-06 EP claimed
US-20110028480-A1 ORODISPERSABLE FORMULATIONS OF PHOSPHODIESTERASE-5 (PDE-5) INHIBITORS OCEAN 1 806, LLC (US) 2011-02-03 US claimed
WO-2009123626-A1 ORODISPERSABLE FORMULATIONS OF PHOSPHODIESTERASE-5 (PDE-5) INHIBITORS OCEAN 1 806, LLC (US) 2009-10-08 WO claimed
EP-1019029-B1 MONOLITHIC SYSTEM CONTAINING ONE OR MORE DRUGS, CONSISTING OF THREE LAYERS WITH DIFFERENT RELEASE MECHANISMS CHIESI FARMA SPA (IT) 2003-09-03 EP claimed
EP-4279075-B1 A PHARMACEUTICAL COMPOSITION COMPRISING ELAGOLIX ZAKL FARMACEUTYCZNE POLPHARMA S A (PL) 2024-07-10 EP disclosed
EP-4279075-A1 A PHARMACEUTICAL COMPOSITION COMPRISING ELAGOLIX Zaklady Farmaceutyczne Polpharma S.A. (PL) 2023-11-22 EP disclosed
US-9387190-B2 Sustained release of topical anesthetics UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-07-12 US disclosed
US-20150297550-A1 SUSTAINED RELEASE OF TOPICAL ANESTHETICS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2015-10-22 US disclosed
EP-2914258-A1 SUSTAINED RELEASE OF TOPICAL ANESTHETICS University Of Kentucky Research Foundation (US) 2015-09-09 EP disclosed
US-8771716-B2 Modified release analgesic suspensions MCNEIL-PPC, INC. (US) 2014-07-08 US disclosed
EP-2091515-B1 MODIFIED RELEASE ANALGESIC SUSPENSIONS MCNEIL PPC INC (US) 2014-06-04 EP disclosed
WO-2014071203-A1 SUSTAINED RELEASE OF TOPICAL ANESTHETICS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-05-08 WO disclosed
US-20130142846-A1 Modified Release Analgesic Suspensions MCNEIL-PPC, INC (US) 2013-06-06 US disclosed
US-8394415-B2 Liquid suspensions of a non-steroidal antiinflammatory agent (ibuprofen) and a decongestant (phenylephrine) having a protective enteric coating of a divinylbenzene-styrene or divinylbenzene-methacrylic acid copolymer; increased effective time between dosages MCNEIL-PPC, INC (US) 2013-03-12 US disclosed
US-20110028480-A1 ORODISPERSABLE FORMULATIONS OF PHOSPHODIESTERASE-5 (PDE-5) INHIBITORS OCEAN 1 806, LLC (US) 2011-02-03 US disclosed
WO-2009123626-A1 ORODISPERSABLE FORMULATIONS OF PHOSPHODIESTERASE-5 (PDE-5) INHIBITORS OCEAN 1 806, LLC (US) 2009-10-08 WO disclosed
EP-2091515-A2 MODIFIED RELEASE ANALGESIC SUSPENSIONS McNeil-PPC, Inc. (US) 2009-08-26 EP disclosed
WO-2008064192-A2 MODIFIED RELEASE ANALGESIC SUSPENSIONS MCNEIL-PPC, INC. (US) 2008-05-29 WO disclosed
US-20080118571-A1 MODIFIED RELEASE ANALGESIC SUSPENSIONS JOHNSON & JOHNSON CONSUMER INC. 2008-05-22 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 (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-20110028480-A1 ORODISPERSABLE FORMULATIONS OF PHOSPHODIESTERASE-5 (PDE-5) INHIBITORS PDE5A, PDE3A, PDE12 ALDH1A1 728/4885TSHR 3742/4885TDP1 62/4885

“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.