SCHEMBL8936359

SCHEMBL8936359

CC(C)C(=O)Cc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
CAMK2A Q9UQM7 1/20 0.56
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
TAAR1 Q96RJ0 3/20 0.47
SLC6A2 P23975 1/20 0.47
CTBP2 P56545 1/20 0.46
ESR1 P03372 5/20 0.45
ESR2 Q92731 5/20 0.45
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SLC7A5 Q01650 1/20 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
SCHEMBL13197240 0.91 POLB (0.45) CA2CAMK2ALMNA
SCHEMBL108145 0.85 CA2 (0.54) CA2CAMK2AFNTAFNTBTAAR1
SCHEMBL13203128 0.83 POLB (0.58) CA2CAMK2A
SCHEMBL10137771 0.83 HPGD (0.55) CTBP2LMNANPC1RAB9A
SCHEMBL10137814 0.83 CA2 (0.56) CA2CAMK2ALMNA
SCHEMBL16379390 0.83 ALDH1A1 (0.48) LMNANPC1RAB9A
SCHEMBL15160745 0.83 POLB (0.40) CA2CAMK2A
SCHEMBL449728 0.82 CA2 (0.50) CA2CAMK2AFNTAFNTBTAAR1
SCHEMBL21341936 0.81 PTGS1 (0.53) ESR1LMNA
SCHEMBL7823277 0.81 NPC1 (0.50) SLC6A2CTBP2LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-10-26 US disclosed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 US disclosed
EP-2809660-B1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORP (US) 2016-01-20 EP disclosed
WO-2014066726-A2 COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION (US) 2014-05-01 WO disclosed
WO-2013116682-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION (US) 2013-08-08 WO disclosed
US-5512059-A DYEING POLYUREHTANE ELASTIC FIBERS INCLUDING CHLORINE-INDUCED DEGRADATION INHIBITORS THAT DO NO ELUTE OUT TOYO BOSEKI KABUSHIKI KAISHA (JP) 1996-04-30 US disclosed
US-5456960-A A multicomponent yarn comprising a polyurethane elastic fiber containing one or more chlorination resistant inhibitors selected from the group consisting of oxides and hydroxides of magnesium, zinc, aluminum and hydrotalcite TOYO BOSEKI KABUSHIHI KAISHA (JP) 1995-10-10 US disclosed
EP-0489395-B1 Dyed mixed knit fabric and method for its manufacture TOYO BOSEKI (JP) 1995-09-27 EP disclosed
EP-0426804-B1 2-(2-HYDROXY-3-PHENOXYPROPYLAMINO)-ETHOXYBENZENE DERIVATIVES ICI PLC (GB) 1994-01-19 EP disclosed
EP-0489395-A1 Dyed mixed knit fabric and method for its manufacture Toyo Boseki Kabushiki Kaisha (JP) 1992-06-10 EP disclosed
EP-0426804-A1 2-(2-HYDROXY-3-PHENOXYPROPYLAMINO)-ETHOXYBENZENE DERIVATIVES. ICI PLC (GB) 1991-05-15 EP disclosed
WO-1990013535-A1 COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-11-15 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-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CA2 3454/4885CAMK2A 2142/4885FNTA 410/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P CA2 749/4885CAMK2A 1410/4885FNTA 3958/4885

“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.