SCHEMBL673176

SCHEMBL673176

C[Si](C)(C)C#Cc1ccc(OC2CCCCO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DHFR P00374 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
NPY4R P50391 1/20 0.35
NPY5R Q15761 1/20 0.35
HSD11B1 P28845 1/20 0.35
ACACB O00763 4/20 0.35
KDM4C Q9H3R0 1/20 0.34
ACP1 P24666 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33

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
SCHEMBL29080221 0.91 ACACB (0.34) NPY1RNPY2RNPY4RNPY5RACACB
SCHEMBL21400656 0.84 APP (0.44) MEN1KMT2ANPC1RAB9AACACB
SCHEMBL13226026 0.82 ACP1 (0.33) TNK2MEN1KMT2AACACBACP1
SCHEMBL18284504 0.82 MEN1 (0.39) TNK2MEN1KMT2ADHFRNPC1
SCHEMBL26842987 0.82 MEN1 (0.36) TNK2MEN1KMT2ADHFRNPC1
SCHEMBL1932032 0.82 ACACB (0.47) TNK2MEN1KMT2ADHFRACACB
SCHEMBL24619846 0.81 DHFR (0.36) DHFRNPC1RAB9AKDM4C
SCHEMBL21400657 0.81 APP (0.44) TNK2MEN1KMT2ADHFRNPY1R
SCHEMBL3500438 0.81 TNK2 (0.44) TNK2MEN1KMT2ADHFRNPC1
SCHEMBL7234221 0.80 PDE4B (0.38) DHFRNPC1RAB9AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 US disclosed
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 EP disclosed
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 EP disclosed
WO-2022149618-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP 中外製薬株式会社 2022-07-14 WO disclosed
WO-2022149618-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP 中外製薬株式会社 2022-07-14 WO disclosed
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-20110130468-A1 HYDROXYLATED TOLANS AND RELATED COMPOUNDS IN THE TREATMENT OF A CANCER KENT STATE UNIVERSITY (US) 2011-06-02 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-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
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-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 (2 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-20110130468-A1 HYDROXYLATED TOLANS AND RELATED COMPOUNDS IN THE TREATMENT OF A CANCER TKT, HAAO, TTPA TNK2 1875/4885MEN1 3316/4885KMT2A 1087/4885
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF TNK2 1498/4885MEN1 1437/4885KMT2A 721/4885

“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.