SCHEMBL3189100

SCHEMBL3189100

CO/C(=C\C(=O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
F2 P00734 1/20 0.46
LMNA P02545 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
SLC6A3 Q01959 1/20 0.44
SRC P12931 1/20 0.44
RAB9A P51151 4/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 4/20 0.42
CES1 P23141 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
SCHEMBL1536367 1.00 TSHR (0.59) TSHRF2LMNACA1CA2
SCHEMBL1536368 1.00 TSHR (0.59) TSHRF2LMNACA1CA2
SCHEMBL16403663 0.88 TSHR (0.59) TSHRF2LMNASLC6A3SRC
SCHEMBL14852715 0.86 TSHR (0.57) TSHRF2LMNARAB9AMAPT
SCHEMBL1137903 0.86 TSHR (0.57) TSHRF2LMNASLC6A3SRC
SCHEMBL7073576 0.84 TSHR (0.55) TSHRF2LMNASLC6A3SRC
SCHEMBL15880803 0.84 TSHR (0.55) TSHRF2LMNASLC6A3SRC
SCHEMBL28732348 0.84 TDP1 (0.59) LMNARAB9AMAPTNPC1KDM4E
SCHEMBL11875080 0.84 CA1 (0.59) TSHRLMNACA1CA2MAPT
SCHEMBL13183413 0.83 TSHR (0.50) TSHRF2LMNASLC6A3SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115350099-A Emulsification method and application of oil-in-water type sunscreen composition 广州栋方生物科技股份有限公司 2022-11-18 CN claimed
CN-115350099-A Emulsification method and application of oil-in-water type sunscreen composition 广州栋方生物科技股份有限公司 2022-11-18 CN disclosed
EP-3236777-A1 TASTE MODIFYING COMPOSITIONS Celanese Sales Germany GmbH (DE) 2017-11-01 EP disclosed
EP-3236778-A1 TASTE MODIFYING COMPOSITIONS Celanese Sales Germany GmbH (DE) 2017-11-01 EP disclosed
EP-3236776-A1 TASTE MODIFYING COMPOSITIONS Celanese Sales Germany GmbH (DE) 2017-11-01 EP disclosed
US-20160183576-A1 TASTE MODIFYING COMPOSITIONS CELANESE SALES GERMANY GMBH (DE) 2016-06-30 US disclosed
WO-2016103163-A1 TASTE MODIFYING COMPOSITIONS CELANESE SALES GERMANY GMBH (DE) 2016-06-30 WO disclosed
US-20160183578-A1 TASTE MODIFYING COMPOSITIONS CELANESE SALES GERMANY GMBH (DE) 2016-06-30 US disclosed
US-20160183579-A1 TASTE MODIFYING COMPOSITIONS CELANESE SALES GERMANY GMBH (DE) 2016-06-30 US disclosed
US-20160183580-A1 TASTE MODIFYING COMPOSITIONS CELANESE SALES GERMANY GMBH (DE) 2016-06-30 US disclosed
WO-2016103183-A1 TASTE MODIFYING COMPOSITIONS CELANESE SALES GERMANY GMBH (DE) 2016-06-30 WO disclosed
WO-2016103182-A1 TASTE MODIFYING COMPOSITIONS CELANESE SALES GERMANY GMBH (DE) 2016-06-30 WO disclosed
WO-2016103184-A1 TASTE MODIFYING COMPOSITIONS CELANESE SALES GERMANY GMBH (DE) 2016-06-30 WO disclosed
US-20150191607-A1 Anti-fouling Paints and Coatings REACTIVE SURFACES, LTD (US) 2015-07-09 US disclosed
US-20100075970-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2010-03-25 US disclosed
US-7655649-B2 Cancer; N,N-dimethyl-5-phenyl-6-(4-{[4-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-1-yl]methyl}phenyl) pyridazin-3-amine;; serine/threonine kinase (Akt) suppression; increased cellular potency or solubility, enhanced pharmacokinetic properties MERCK SHARP & DOHME CORP. (US) 2010-02-02 US disclosed
EP-1737843-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2009-01-28 EP disclosed
US-20080280889-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
EP-1737843-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-01-03 EP disclosed
WO-2005100344-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2005-10-27 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 (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-20100075970-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, AKT2, AKT1 TSHR 4081/4885F2 4608/4885LMNA 4289/4885
US-20080280889-A1 Inhibitors of Akt Activity AKT2, PIK3CA, AKT1 TSHR 4214/4885F2 4648/4885LMNA 4294/4885

“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.