SCHEMBL673267

SCHEMBL673267

C#Cc1ccc(OC2CCCCO2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TNK2 Q07912 3/20 0.38
HRH3 Q9Y5N1 3/20 0.36
DHFR P00374 1/20 0.36
HSD11B1 P28845 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
ACP1 P24666 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
NPY4R P50391 1/20 0.33
NPY5R Q15761 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
SLC6A2 P23975 2/20 0.31

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
SCHEMBL21903461 0.87 DHFR (0.40) MEN1KMT2ATNK2DHFRHSD11B1
SCHEMBL31204206 0.87 DHFR (0.40) MEN1KMT2ATNK2DHFRHSD11B1
SCHEMBL3500438 0.86 TNK2 (0.44) MEN1KMT2ATNK2HRH3DHFR
SCHEMBL15584178 0.84 DHFR (0.36) MEN1KMT2ATNK2DHFRHSD11B1
SCHEMBL3143065 0.84 HRH3 (0.52) MEN1KMT2ATNK2HRH3NPC1
SCHEMBL8434147 0.81 TNK2 (0.40) MEN1KMT2ATNK2HRH3DHFR
SCHEMBL25266004 0.81 RAB9A (0.45) MEN1KMT2AHRH3NPC1RAB9A
SCHEMBL25190658 0.81 RAB9A (0.45) MEN1KMT2AHRH3NPC1RAB9A
SCHEMBL20570060 0.81 MEN1 (0.56) MEN1KMT2AHRH3KDM4CNPC1
SCHEMBL7362854 0.81 HRH3 (0.42) MEN1KMT2ATNK2HRH3DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104119285-B Compound and application thereof as estrogen-related receptor modulator 中国科学院广州生物医药与健康研究院 2016-06-29 CN disclosed
CN-104119285-A Compound used as estrogen-related receptor regulator and application of compound GUANGZHOU INST BIOMED & HEALTH 2014-10-29 CN 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-8716355-B2 Hydroxylated tolans and related compounds in the treatment of a cancer KENT STATE UNIVERSITY (US) 2014-05-06 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-8680142-B2 Ascorbate, vitamin K3 and hydroxytolans in the treatment of cancer KENT STATE UNIVERSITY (US) 2014-03-25 US disclosed
US-8680142-B2 Ascorbate, vitamin K3 and hydroxytolans in the treatment of cancer KENT STATE UNIVERSITY (US) 2014-03-25 US disclosed
US-8680142-B2 Ascorbate, vitamin K3 and hydroxytolans in the treatment of cancer KENT STATE UNIVERSITY (US) 2014-03-25 US disclosed
EP-1731587-B1 Process for the preparation of tolanes MERCK PATENT GMBH (DE) 2013-01-23 EP disclosed
US-20110160301-A1 ASCORBATE, VITAMIN K3 AND HYDROXYTOLANS IN THE TREATMENT OF CANCER KENT STATE UNIVERSITY (US) 2011-06-30 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-6805920-B2 For producing liquid crystal display (LCD) NITTO DENKO CORPORATION (JP) 2004-10-19 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
EP-1311254-A2 METHODS FOR TREATING SUBJECTS INFECTED WITH A HERPES VIRUS OR i NEISSERIA GONORRHEAE /i Northeastern Ohio Universities (US) 2003-05-21 EP disclosed
US-20030072893-A1 Polymerizable liquid crystal compound and optical film NITTO DENKO CORPORATION (JP) 2003-04-17 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
WO-2002013764-A2 METHODS FOR TREATING SUBJECTS INFECTED WITH A HERPES VIRUS OR NEISSERIA GONORRHEAE NORTHEASTERN OHIO UNIVERSITIES COLLEGE OF MEDICINE (US) 2002-02-21 WO 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 (1 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-20110160301-A1 ASCORBATE, VITAMIN K3 AND HYDROXYTOLANS IN THE TREATMENT OF CANCER PROC, VKORC1L1, VKORC1 MEN1 1468/4885KMT2A 1792/4885TNK2 2129/4885

“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.