SCHEMBL674040

SCHEMBL674040

COc1cc(C#Cc2cc(OC)cc(OC)c2)cc(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
APP P05067 2/20 0.50
CYP1A1 P04798 5/20 0.48
CYP1B1 Q16678 5/20 0.48
ABL1 P00519 2/20 0.44
ABCB1 P08183 2/20 0.44
BCR P11274 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2E1 P05181 2/20 0.42
CYP2C8 P10632 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2A6 P11509 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP4B1 P13584 2/20 0.42
CYP2B6 P20813 2/20 0.42
CYP3A5 P20815 2/20 0.42

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
SCHEMBL16140275 0.88 ALDH1A1 (0.50) ALDH1A1APPCYP1A1CYP1B1ABL1
SCHEMBL673820 0.88 APP (0.69) ALDH1A1APPCYP1A1CYP1B1ABL1
SCHEMBL8006347 0.87 ALDH1A1 (0.55) ALDH1A1APPCYP1A1CYP1B1ABL1
SCHEMBL1005880 0.84 APP (0.77) ALDH1A1APPCYP1A1CYP1B1ABL1
SCHEMBL712263 0.82 APP (0.52) ALDH1A1APPCYP1A1CYP1B1ABL1
SCHEMBL23583704 0.81 ALDH1A1 (0.48) ALDH1A1APPCYP1A1CYP1B1ABL1
SCHEMBL673173 0.81 ALDH1A1 (0.48) ALDH1A1APPCYP1A1CYP1B1ABL1
SCHEMBL21252661 0.81 ALDH1A1 (0.48) ALDH1A1APPCYP1A1CYP1B1ABL1
1,3,5-Trimethoxybenzene SCHEMBL28493 0.80 ALDH1A1 (1.00) ALDH1A1CYP1A1CYP1B1ABL1ABCB1
SCHEMBL11475256 0.80 ALDH1A1 (0.61) ALDH1A1APPCYP1A1CYP1B1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754619-B Method for preparing polysubstituted benzofuran-4-formic acid compound under catalysis of ruthenium 广州大学 2022-12-20 CN disclosed
US-20220296538-A1 Substituted Tolans for the Modulation of Microbial Colonization BioMendics, LLC (US) 2022-09-22 US disclosed
US-11351126-B2 Substituted tolans for the modulation of microbial colonization BioMendics, LLC (US) 2022-06-07 US disclosed
CN-113754619-A Method for preparing polysubstituted benzofuran-4-formic acid compound under catalysis of ruthenium 广州大学 2021-12-07 CN disclosed
US-9263683-B2 Use of cobalt complexes for preparing an active layer in a photovoltaic cell, and corresponding photovoltaic cell CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-02-16 US disclosed
EP-2691404-B1 USE OF COBALT COMPLEXES FOR THE PREPARATION OF THE ACTIVE LAYER OF A PHOTVOLTAIC CELL, AND CORRESPONDING PHOTOVOLTAIC CELL CENTRE NAT RECH SCIENT (FR) 2015-05-06 EP disclosed
EP-2691404-B1 USE OF COBALT COMPLEXES FOR THE PREPARATION OF THE ACTIVE LAYER OF A PHOTVOLTAIC CELL, AND CORRESPONDING PHOTOVOLTAIC CELL CENTRE NAT RECH SCIENT (FR) 2015-05-06 EP disclosed
US-20140290745-A1 USE OF COBALT COMPLEXES FOR PREPARING AN ACTIVE LAYER IN A PHOTOVOLTAIC CELL, AND CORRESPONDING PHOTOVOLTAIC CELL UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2014-10-02 US disclosed
US-20140290745-A1 USE OF COBALT COMPLEXES FOR PREPARING AN ACTIVE LAYER IN A PHOTOVOLTAIC CELL, AND CORRESPONDING PHOTOVOLTAIC CELL UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2014-10-02 US disclosed
US-8716355-B2 Hydroxylated tolans and related compounds in the treatment of a cancer KENT STATE UNIVERSITY (US) 2014-05-06 US disclosed
US-20110160301-A1 ASCORBATE, VITAMIN K3 AND HYDROXYTOLANS IN THE TREATMENT OF CANCER KENT STATE UNIVERSITY (US) 2011-06-30 US disclosed
US-20110130468-A1 HYDROXYLATED TOLANS AND RELATED COMPOUNDS IN THE TREATMENT OF A CANCER KENT STATE UNIVERSITY (US) 2011-06-02 US disclosed
WO-2009126700-A1 HYDROXYLATED TOLANS AND RELATED COMPOUNDS AS COSMETICS OR THERAPEUTICS FOR SKIN CONDITIONS KENT STATE UNIVERSITY (US) 2009-10-15 WO disclosed
US-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2009-03-12 US disclosed
WO-2008157745-A1 ASCORBATE, VITAMIN K3 AND HYDROXYTOLANS IN THE TREATMENT OF CANCER KENT STATE UNIVERSITY (US) 2008-12-24 WO disclosed
WO-2008157787-A2 HYDROXYLATED TOLANS AND RELATED COMPOUNDS IN THE TREATMENT OF CANCER KENT STATE UNIVERSITY (US) 2008-12-24 WO disclosed
US-7094809-B2 Topical administration of dihydroxytoluene to block viral replication NORTHEASTERN OHIO UNIVERSITIES COLLEGE OF MEDICINE (US) 2006-08-22 US disclosed
US-20030203974-A1 Methods for treating subjects infected with herpes virus or Neisseria gonorrheae DOCHERTY JOHN (US) 2003-10-30 US disclosed
US-6599945-B2 Administering a hydroxylated tolan to the host cell of a patient having or suspected having an infection induced by herpes virus NORTHEASTERN OHIO UNIVERSITIES COLLEGE OF MEDICINE 2003-07-29 US disclosed
US-20020103262-A1 Methods for treating subjects infected with a herpes virus or neisseria gonorrheae KENT STATE UNIVERSITY 2002-08-01 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-11351126-B2 Substituted tolans for the modulation of microbial colonization LMAN1, DPM1, DSTN ALDH1A1 1348/4885APP 3466/4885CYP1A1 333/4885
US-20220296538-A1 Substituted Tolans for the Modulation of Microbial Colonization LMAN1, DPM1, DSTN ALDH1A1 1348/4885APP 3466/4885CYP1A1 333/4885
US-20110130468-A1 HYDROXYLATED TOLANS AND RELATED COMPOUNDS IN THE TREATMENT OF A CANCER TKT, HAAO, TTPA ALDH1A1 134/4885APP 4407/4885CYP1A1 387/4885
US-20110160301-A1 ASCORBATE, VITAMIN K3 AND HYDROXYTOLANS IN THE TREATMENT OF CANCER PROC, VKORC1L1, VKORC1 ALDH1A1 630/4885APP 4756/4885CYP1A1 964/4885
US-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES PF4, AFF4, FLI1 ALDH1A1 540/4885APP 4258/4885CYP1A1 175/4885

“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.