SCHEMBL476056

SCHEMBL476056

CC=C(C)C(=O)O.N#CC=CC=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
MCL1 Q07820 2/20 0.43
MAOB P27338 3/20 0.42
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
LMNA P02545 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 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
Butadiene SCHEMBL5964914 0.94 AKR1C3 (0.41) AKR1C3MCL1MAOBGLATDP1
SCHEMBL5879478 0.90 MCL1 (0.49) AKR1C3MCL1MAOBGLATDP1
Methacrylic Acid SCHEMBL437865 0.86 CYP3A4 (0.46) AKR1C3MCL1MAOBGLATDP1
Methacrylic Acid SCHEMBL6906597 0.86 CYP3A4 (0.46) AKR1C3MCL1MAOBGLATDP1
SCHEMBL476359 0.86 AKR1C3 (0.41) AKR1C3MCL1MAOBGLATDP1
SCHEMBL9862581 0.86 AKR1C3 (0.41) AKR1C3MCL1MAOBGLATDP1
Bicarbonate SCHEMBL16751853 0.85 MAOB (0.54) MCL1MAOBGLATDP1HDAC3
Methacrylic Acid SCHEMBL28068002 0.85 CYP3A4 (0.45) AKR1C3MCL1MAOBGLATDP1
SCHEMBL11422112 0.83 GLA (0.47) MCL1MAOBGLATDP1HDAC3
Methacrylic Acid SCHEMBL863641 0.82 CYP3A4 (0.43) AKR1C3MCL1MAOBGLATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102827-B2 Thermoplastic resin having high transparency and high impact strength and preventing low-temperature whitening CHEIL INDUSTRIES INC. (KR) 2015-08-11 US claimed
US-8937166-B2 68Ga generator ITM ISOTOPEN TECHNOLOGIEN MUNCHEN AG (DE) 2015-01-20 US claimed
US-20140163211-A1 68Ga Generator ITM Isotopen Technologien München AG (DE) 2014-06-12 US claimed
US-20140142212-A1 Thermoplastic Resin Having High Transparency and High Impact Strength and Preventing Low-Temperature Whitening CHEIL INDUSTRIES INC. (KR) 2014-05-22 US claimed
EP-2439747-B1 68 Ga generator ITM ISOTOPEN TECHNOLOGIEN MUENCHEN AG (DE) 2013-09-18 EP claimed
US-8487047-B2 68Ga generator ITM ISOTOPEN TECHNOLOGIEN MUNCHEN AG (DE) 2013-07-16 US claimed
US-20120252981-A1 68Ga Generator LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2012-10-04 US claimed
EP-2094746-B1 THERMOPLASTIC RESIN HAVING UNIFORM COMPOSITION AND NARROW MOLECULAR WEIGHT DISTRIBUTION, AND METHOD FOR PREPARING THE SAME CHEIL IND INC (KR) 2012-02-01 EP claimed
US-7019049-B1 Process for preparing thermoplastic transparent resin LG CHEMICAL CO. LTD. (KR) 2006-03-28 US claimed
EP-1263878-B1 PROCESS FOR PREPARING THERMOPLASTIC TRANSPARENT RESIN LG CHEMICAL LTD (KR) 2005-04-13 EP claimed
US-6203708-B1 FOR REMOVING SOLUBLE ELECTROLYTES FROM AN IONISING SOLVENT MONASH UNIVERSITY (AU) 2001-03-20 US claimed
EP-0647160-B1 ION EXCHANGE RESIN UNIV MONASH (AU) 1998-09-02 EP claimed
US-5544144-A Optical head structure having compactly arranged parts ASAHI KOGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-08-06 US claimed
EP-0647160-A4 ION EXCHANGE RESIN. UNIV MONASH (AU) 1995-08-30 EP claimed
EP-0647160-A1 ION EXCHANGE RESIN MONASH UNIVERSITY (AU) 1995-04-12 EP claimed
WO-1994000237-A1 ION EXCHANGE RESIN MONASH UNIVERSITY (AU) 1994-01-06 WO claimed
US-5248546-A Insulation THE B. F. GOODRICH COMPANY (US) 1993-09-28 US claimed
EP-0529576-A1 Vinyl based articles in contact with chloro-fluoro chemicals The Geon Company (US) 1993-03-03 EP claimed
EP-0126952-A1 Improved polycarbonate blends AMOCO CORPORATION (US) 1984-12-05 EP claimed
US-4000219-A ETHYLENE-PROPYLENE-DIENE TERPOLYMER BORG-WARNER CORPORATION (US) 1976-12-28 US claimed

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-20120252981-A1 68Ga Generator GCG, GRPR, GDA AKR1C3 4500/4885MCL1 2343/4885MAOB 1132/4885

“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.