SCHEMBL9893794

SCHEMBL9893794

CC(C)(O)C(C)(C)OB(O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.48
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
NR4A2 P43354 2/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
BCHE P06276 2/20 0.43
MAOA P21397 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
SMPD1 P17405 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 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
SCHEMBL2316194 0.81 PRSS1 (0.39)
SCHEMBL22960766 0.81 MAOB (0.59) MAOBCYP4F2CYP4A11NR4A2BCHE
SCHEMBL5151090 0.81 GGPS1 (0.41) SMPD1THRBKMT2A
SCHEMBL17744700 0.80 FFAR4 (0.46) MAPTL3MBTL1
SCHEMBL1274780 0.80 FFAR1 (0.36) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL2300859 0.79 ENPP2 (0.57) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL16105748 0.79 ALOX5 (0.47) MAOBCYP4F2CYP4A11PDK1PDK2
SCHEMBL2376954 0.78 ENPP2 (0.40)
SCHEMBL6698475 0.78 ENPP2 (0.53) PDK1PDK2PDK3PDK4
SCHEMBL22315 0.77 CYP4F2 (0.58) MAOBCYP4F2CYP4A11NR4A2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3995492-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2024-05-29 EP claimed
EP-3995492-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2022-05-11 EP claimed
EP-3319941-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2021-12-29 EP claimed
EP-3319941-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx, LLC (US) 2018-05-16 EP claimed
US-9914695-B2 Two-step process for preparing 3-substituted phenylalkylamines MALLINCKRODT LLC (US) 2018-03-13 US claimed
WO-2017011231-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES MALLINCKRODT LLC (US) 2017-01-19 WO claimed
US-20170008832-A1 TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES MALLINCKRODT ENTERPRISES LLC 2017-01-12 US claimed
EP-3995492-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2024-05-29 EP disclosed
EP-3995492-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2022-05-11 EP disclosed
EP-3319941-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2021-12-29 EP disclosed
EP-3319941-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx, LLC (US) 2018-05-16 EP disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-9914695-B2 Two-step process for preparing 3-substituted phenylalkylamines MALLINCKRODT LLC (US) 2018-03-13 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
EP-2788336-A1 BENZOTHIAZOL- 6 -YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION Gilead Sciences, Inc. (US) 2014-10-15 EP disclosed
WO-2013159064-A1 BENZOTHIAZOL- 6 -YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-10-24 WO disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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 (5 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MAOB 802/4885CYP4F2 1406/4885CYP4A11 460/4885
US-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MAOB 780/4885CYP4F2 2247/4885CYP4A11 2779/4885
US-20170008832-A1 TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES PNMT, CYP1B1, UGT2B7 MAOB 186/4885CYP4F2 468/4885CYP4A11 167/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 MAOB 1947/4885CYP4F2 1647/4885CYP4A11 700/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MAOB 802/4885CYP4F2 1406/4885CYP4A11 460/4885

“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.