SCHEMBL16319302

SCHEMBL16319302

Cc1ccc(OCc2ccccc2)cc1C=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.56
MAOA P21397 4/20 0.56
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALOX5 P09917 1/20 0.51
ERN1 O75460 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49
ACHE P22303 1/20 0.48
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48

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
SCHEMBL2807207 0.88 GSTP1 (0.52) MAOBMAOANPC1RAB9ATDP1
SCHEMBL30663841 0.88 MAOB (0.56) MAOBMAOANPC1RAB9ATDP1
SCHEMBL498282 0.88 MAOB (0.56) MAOBMAOANPC1RAB9ATDP1
SCHEMBL2196341 0.86 NPC1 (0.61) MAOBMAOANPC1RAB9ATDP1
SCHEMBL8327914 0.85 MAOA (0.61) MAOBMAOANPC1RAB9AMEN1
SCHEMBL17821574 0.83 ALOX5 (0.54) MAOBMAOANPC1RAB9ATDP1
SCHEMBL17821572 0.83 ALOX5 (0.54) MAOBMAOANPC1RAB9ATDP1
SCHEMBL3615463 0.83 MAOB (0.58) MAOBMAOANPC1RAB9AL3MBTL1
SCHEMBL6035502 0.82 TUBB1 (0.72) MAOBMAOANPC1RAB9ATDP1
SCHEMBL1128651 0.82 MAOB (0.54) MAOBMAOANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11583507-B2 Direct AMPK activator compounds SOCIETE DES PRODUITS NESTLE S.A. (CH) 2023-02-21 US disclosed
WO-2020229375-A1 PHENANTHRENE AMPK ACTIVATOR COMPOUNDS, COMPOSITIONS, METHODS AND USES THEREOF Société des Produits Nestlé S.A. (CH) 2020-11-19 WO disclosed
WO-2019228794-A1 DIRECT AMPK ACTIVATOR COMPOUNDS SOCIETE DES PRODUITS NESTLE S.A. (CH) 2019-12-05 WO disclosed
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 US disclosed
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 US disclosed
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds Prosetta Antiviral, Inc. (US) 2019-02-05 US disclosed
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds Prosetta Antiviral, Inc. (US) 2019-02-05 US disclosed
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-29 US disclosed
EP-3105228-B1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DIABETES AND OBESITY TAKEDA PHARMACEUTICALS CO (JP) 2018-09-26 EP disclosed
US-10023544-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-17 US disclosed
US-20160168100-A1 ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 US disclosed
US-20160168100-A1 ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 US disclosed
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
WO-2015122188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 WO disclosed
US-20150225354-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 US disclosed
WO-2015117146-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. (US) 2015-08-06 WO disclosed
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2015-08-06 US disclosed
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2015-08-06 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP 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 (9 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT MAOB 3746/4885MAOA 3442/4885NPC1 245/4885
US-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 MAOB 3876/4885MAOA 3681/4885NPC1 673/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT MAOB 3746/4885MAOA 3442/4885NPC1 245/4885
US-20160168100-A1 ANTI-HIV COMPOUNDS MAVS, SARS1, NFATC1 MAOB 3357/4885MAOA 3114/4885NPC1 96/4885
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 MAOB 3943/4885MAOA 4290/4885NPC1 252/4885
US-11583507-B2 Direct AMPK activator compounds PRKAG2, AK2, PRKAG3 MAOB 3811/4885MAOA 3259/4885NPC1 2731/4885
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water SOD1, MPO, TFRC MAOB 753/4885MAOA 535/4885NPC1 4581/4885
US-20150225354-A1 HETEROCYCLIC COMPOUND MMP2, DPP4, TMPRSS15 MAOB 730/4885MAOA 514/4885NPC1 552/4885
US-10023544-B2 Heterocyclic compound MMP2, DPP4, TMPRSS15 MAOB 730/4885MAOA 514/4885NPC1 552/4885

“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.