SCHEMBL673177

SCHEMBL673177

C[Si](C)(C)C#Cc1ccccc1OC1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.48
BAZ2B Q9UIF8 1/20 0.48
SYK P43405 1/20 0.39
TBK1 Q9UHD2 12/20 0.38
IKBKE Q14164 4/20 0.38
LRRK2 Q5S007 1/20 0.38
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNG1 Q06432 1/20 0.36
CACNB2 Q08289 1/20 0.36

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
SCHEMBL31546692 0.91 MCHR1 (0.38) KAT2BBAZ2B
SCHEMBL673268 0.78 KAT2B (0.49) KAT2BBAZ2BSYKTBK1IKBKE
SCHEMBL1667102 0.78 TBK1 (0.49) KAT2BBAZ2BTBK1IKBKEPDE9A
Ammonia Solution, Strong SCHEMBL28707534 0.77 KAT2B (0.51) KAT2BBAZ2BTBK1IKBKEPDE9A
SCHEMBL7712474 0.76 KDM4C (0.35)
SCHEMBL3846189 0.73 ALDH1A1 (0.41)
SCHEMBL12180578 0.73 KAT2B (0.56) KAT2BBAZ2BSYKPDE4D
SCHEMBL3798831 0.73 KAT2B (0.53) KAT2BBAZ2BSYKCACNB4CACNA1A
SCHEMBL852452 0.72 GRM5 (0.49)
SCHEMBL29636414 0.72 GRM5 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 KAT2B 1934/4885BAZ2B 4738/4885SYK 2878/4885
US-20110160301-A1 ASCORBATE, VITAMIN K3 AND HYDROXYTOLANS IN THE TREATMENT OF CANCER PROC, VKORC1L1, VKORC1 KAT2B 3362/4885BAZ2B 3399/4885SYK 4083/4885

“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.