SCHEMBL7512554

SCHEMBL7512554

COc1cc(C=CC(=O)O)cc(OC)c1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 2/20 0.64
HTR1A P08908 1/20 0.64
HPGD P15428 1/20 0.64
HTR2C P28335 1/20 0.64
HSD17B10 Q99714 1/20 0.64
LMNA P02545 1/20 0.62
TNFRSF1A P19438 3/20 0.60
APP P05067 4/20 0.59
PDE4A P27815 1/20 0.58
PDE4B Q07343 1/20 0.58
PDE4C Q08493 1/20 0.58
PDE4D Q08499 1/20 0.58
PKM P14618 2/20 0.58
PTGER4 P35408 2/20 0.57
PTGER3 P43115 2/20 0.57
PTGER2 P43116 2/20 0.57
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
AKR1C3 P42330 1/20 0.55

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
SCHEMBL7512551 1.00 KDM4E (0.64) KDM4EALDH1A1HTR1AHPGDHTR2C
SCHEMBL22555959 0.97 KDM4E (0.62) KDM4EALDH1A1HTR1AHPGDHTR2C
SCHEMBL7813956 0.92 KDM4E (0.69) KDM4EALDH1A1HTR1AHPGDHTR2C
SCHEMBL7813952 0.92 KDM4E (0.69) KDM4EALDH1A1HTR1AHPGDHTR2C
SCHEMBL4843115 0.91 KDM4E (0.57) KDM4EALDH1A1HTR1AHPGDHTR2C
SCHEMBL4843101 0.91 KDM4E (0.57) KDM4EALDH1A1HTR1AHPGDHTR2C
SCHEMBL22555962 0.91 KDM4E (0.57) KDM4EALDH1A1HTR1AHPGDHTR2C
SCHEMBL5848694 0.90 KDM4E (0.66) KDM4EALDH1A1LMNAAPPPDE4A
SCHEMBL5848689 0.90 KDM4E (0.66) KDM4EALDH1A1LMNAAPPPDE4A
SCHEMBL27743558 0.88 TNFRSF1A (0.60) KDM4EALDH1A1HTR1AHPGDHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
US-9518022-B2 Anti-HIV compounds PROSETTA ANTIVIRAL INC. (US) 2016-12-13 US disclosed
WO-2016100391-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. (US) 2016-06-23 WO disclosed
US-20160168100-A1 ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 US disclosed
US-20150073158-A1 METHOD FOR PREPARING FUROFURAN LIGNAN COMPOUND AMOREPACIFIC CORPORATION (KR) 2015-03-12 US disclosed
WO-2002074300-A1 COMPOSITION FOR TREATING ARTERIOSCLEROSIS COMPRISING 3-(4'-HYDROXYL-3',5'-DIMETHOXYPHENYL)PROPIONIC ACID OR ITS DERIVATIVES DONG WHA PHARM. IND. CO., LTD. (KR) 2002-09-26 WO disclosed
EP-0628311-B1 Xanthine-Derivatives as Antidepressants KYOWA HAKKO KOGYO KK (JP) 2002-04-24 EP disclosed
EP-0565377-B1 Therapeutic agents for use in the treatment of Parkinson's Disease KYOWA HAKKO KOGYO KK (JP) 1998-01-07 EP disclosed
US-5587378-A ADMINISTERING A SUBSTITUTED XANTHINE COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-12-24 US disclosed
US-5543415-A ADMINISTERING A XANTHINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-08-06 US disclosed
US-5484920-A XANTHINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-01-16 US disclosed
EP-0628311-A1 ANTIDEPRESSANT KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-14 EP disclosed
EP-0565377-A1 Therapeutic agents for use in the treatment of parkinson's disease KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-10-13 EP disclosed
US-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 US disclosed
US-3975429-A Cyclopropanemethyl esters of cinnamic acid and derivatives thereof ZOECON CORPORATION (US) 1976-08-17 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT KDM4E 289/4885ALDH1A1 3748/4885HTR1A 3014/4885
US-20150073158-A1 METHOD FOR PREPARING FUROFURAN LIGNAN COMPOUND CYP4F2, UGT1A7, UGT1A3 KDM4E 1126/4885ALDH1A1 137/4885HTR1A 2642/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT KDM4E 289/4885ALDH1A1 3748/4885HTR1A 3014/4885
US-20160168100-A1 ANTI-HIV COMPOUNDS MAVS, SARS1, NFATC1 KDM4E 448/4885ALDH1A1 3741/4885HTR1A 3557/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT KDM4E 289/4885ALDH1A1 3748/4885HTR1A 3014/4885

“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.