SCHEMBL674017

SCHEMBL674017

FC(F)(F)c1ccc(C#Cc2ccc(OC3CCCCO3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.38
LTA4H P09960 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
NPY4R P50391 1/20 0.38
NPY5R Q15761 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EPHX2 P34913 1/20 0.36
TNK2 Q07912 2/20 0.35
AR P10275 3/20 0.34
TEAD1 P28347 1/20 0.34
POLB P06746 1/20 0.33
DHFR P00374 1/20 0.33
HSD11B1 P28845 1/20 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
SCHEMBL1714946 0.91 LTA4H (0.40) LTA4HNPY1RNPY2RNPY4RNPY5R
SCHEMBL21400656 0.83 APP (0.44) ACACBMEN1KMT2A
SCHEMBL21400657 0.83 APP (0.44) ACACBNPY1RNPY2RNPY4RNPY5R
SCHEMBL1932032 0.81 ACACB (0.47) ACACBMEN1KMT2ATNK2DHFR
SCHEMBL3500438 0.80 TNK2 (0.44) NPY1RNPY2RNPY4RNPY5RMEN1
SCHEMBL673176 0.79 TNK2 (0.38) ACACBNPY1RNPY2RNPY4RNPY5R
SCHEMBL673267 0.78 MEN1 (0.40) NPY1RNPY2RNPY4RNPY5RMEN1
SCHEMBL3143065 0.78 HRH3 (0.52) MEN1KMT2ATNK2AR
SCHEMBL7362854 0.78 HRH3 (0.42) ACACBNPY1RNPY2RNPY4RNPY5R
SCHEMBL26842987 0.78 MEN1 (0.36) ACACBNPY1RNPY2RNPY4RNPY5R

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 19 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-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
US-20110160301-A1 ASCORBATE, VITAMIN K3 AND HYDROXYTOLANS IN THE TREATMENT OF CANCER KENT STATE UNIVERSITY (US) 2011-06-30 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-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
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-2009126700-A1 HYDROXYLATED TOLANS AND RELATED COMPOUNDS AS COSMETICS OR THERAPEUTICS FOR SKIN CONDITIONS KENT STATE UNIVERSITY (US) 2009-10-15 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 ACACB 1924/4885LTA4H 870/4885NPY1R 4259/4885
US-20110160301-A1 ASCORBATE, VITAMIN K3 AND HYDROXYTOLANS IN THE TREATMENT OF CANCER PROC, VKORC1L1, VKORC1 ACACB 2783/4885LTA4H 2193/4885NPY1R 4613/4885

“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.