SCHEMBL2517671

SCHEMBL2517671

CC(C)Oc1cccc([C]=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.48
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KAT6A Q92794 1/20 0.41
CNR1 P21554 1/20 0.41
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NSD2 O96028 1/20 0.41
MGLL Q99685 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN5 P54829 1/20 0.39
PARP10 Q53GL7 1/20 0.39
GABRA1 P14867 1/20 0.39

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
SCHEMBL7291177 0.82 CYP1A2 (0.51) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL17103301 0.82 GPBAR1 (0.43) ACACBGAAALDH1A1
SCHEMBL7284890 0.81 FFAR1 (0.46) BRD4
SCHEMBL11998354 0.81 ACACB (0.45) ACACBRXRARXRBKMT2AMEN1
SCHEMBL16954545 0.81 ACACB (0.45) ACACBRXRARXRBKMT2AMEN1
SCHEMBL757193 0.81 MGLL (0.54) ACACBRXRARXRBKMT2AMEN1
SCHEMBL11775150 0.79 ALDH1A1 (0.38) ACACBRXRARXRBKMT2AALDH1A1
SCHEMBL7679108 0.79 LMNA (0.59) KMT2AMEN1GAAHTTALDH1A1
SCHEMBL2968363 0.79 RXRA (0.53) RXRARXRBKMT2AMEN1GAA
SCHEMBL96045 0.78 CA1 (0.53) ALDH1A1CA2MGLLL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4727079-A Brain-specific dopaminergic activity involving dihydropyridine carboxamides, dihydroquinoline and isoquinoline carboxamides UNIVERSITY OF FLORIDA (US) 1988-02-23 US claimed
US-9955689-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-01 US disclosed
US-9894901-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-20 US disclosed
US-9872493-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-23 US disclosed
EP-3219717-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (R)-N-METHYLNALTREXONE Progenics Pharmaceuticals, Inc. (US) 2017-09-20 EP disclosed
US-20170143700-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE PROGENICS PHARMACEUTICALS, INC. (US) 2017-05-25 US disclosed
US-9597327-B2 Synthesis of (R)-N-methylnaltrexone PROGENICS PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20150305332-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-29 US disclosed
US-20150290187-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE Progenics Pharmaceuticals., Inc. 2015-10-15 US disclosed
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
WO-1981000849-A1 NOVEL PROCESS AND INTERMEDIATES USEFUL IN THE PREPARATION OF SYMPATHOMIMETIC AMINES INTERX RESEARCH CORP (US) 1981-04-02 WO disclosed
US-RE30241-E BRONCHODILATION, ADRENERGIC STIMULANTS STERLING DRUG INC. (US) 1980-03-25 US disclosed
US-4145441-A SYMPATHOMIMETIC AMINES EXHIBITING ANTI-HEMORRHOIDAL ACTIVITY INTERX RESEARCH CORPORATION (US) 1979-03-20 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US disclosed
US-4094983-A \"KETO\" SYMPATHOMIMETIC AMINES INTERX RESEARCH CORPORATION (US) 1978-06-13 US disclosed
US-4035405-A Novel synthesis for preparing the hydrochloride salt of selected catecholamine derivatives INTERX RESEARCH CORPORATION (US) 1977-07-12 US disclosed
US-3988325-A 7-Carboxy or 2,2,2-trichloroethoxy carbonyl- cephalosporins ELI LILLY AND COMPANY (US) 1976-10-26 US disclosed
US-3962214-A Process for preparing amino substituted β-lactam antibiotics ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed
US-3954731-A Process for preparing 6-alkoxypenicillanic and 7-alkoxycephalosporin acids ELI LILLY AND COMPANY (US) 1976-05-04 US disclosed
US-3932393-A 3-Methylenecephalosporins and process for production thereof ELI LILLY AND COMPANY (US) 1976-01-13 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 (4 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-20170143700-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE OPRM1, OPRL1, OPRK1 ACACB 4335/4885RXRA 1135/4885RXRB 1310/4885
US-20150305332-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, BROX, FGF2 ACACB 144/4885RXRA 3799/4885RXRB 3349/4885
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, MKI67, FGF2 ACACB 196/4885RXRA 3658/4885RXRB 3910/4885
US-20150290187-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE OPRM1, OPRL1, OPRK1 ACACB 4335/4885RXRA 1135/4885RXRB 1310/4885

“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.