SCHEMBL7889999

SCHEMBL7889999

Cc1ccc(C#Cc2ccc(O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.68
APP P05067 3/20 0.58
GRM5 P41594 2/20 0.52
CA12 O43570 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
CA1 P00915 2/20 0.48
KCNH2 Q12809 1/20 0.48
FFAR1 O14842 2/20 0.47
ALDH1A1 P00352 3/20 0.46
CA3 P07451 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CYP2A6 P11509 1/20 0.46
CA6 P23280 1/20 0.46
ESR2 Q92731 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 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
SCHEMBL23979323 0.95 ACHE (0.62) ACHEAPPGRM5CA12CA2
SCHEMBL4267390 0.88 ACHE (0.52) ACHEAPPGRM5CA12CA2
SCHEMBL9445826 0.86 GRM5 (0.64) ACHEAPPGRM5CA12CA2
SCHEMBL4457730 0.86 GRM5 (0.64) ACHEAPPGRM5CA12CA2
SCHEMBL14400750 0.86 APP (0.74) ACHEAPPCA12CA2CA9
SCHEMBL673609 0.86 APP (0.74) ACHEAPPCA12CA2CA9
SCHEMBL9715647 0.83 GRM5 (0.61) ACHEAPPGRM5CA12CA2
P-Cresol SCHEMBL375 0.83
P-Cresol SCHEMBL960690 0.83 ACHE (1.00) ACHECA12CA2CA9CA1
P-Cresol SCHEMBL9726112 0.83 ACHE (1.00) ACHECA12CA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786481-B2 Formulation and process for modulating wound healing BioMendics, LLC (US) 2023-10-17 US disclosed
CN-105152919-A Compounds for the treatment of metabolic diseases UNIV SYDDANSK 2015-12-16 CN disclosed
CN-102137836-B Compounds for the treatment of metabolic disorders SYDDANSK UNIVERSITET (DK) 2015-08-26 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-8680142-B2 Ascorbate, vitamin K3 and hydroxytolans in the treatment of cancer KENT STATE UNIVERSITY (US) 2014-03-25 US disclosed
US-8460576-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2013-06-11 US disclosed
CN-102137836-A Compounds for the treatment of metabolic disorders UNIV SYDDANSK 2011-07-27 CN 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-6171664-B1 TOLAN DERIVATIVES ARE USEFUL AS ELECTRO-OPTICAL DISPLAY; CHEMICAL, HEAT AND RADIATION RESISTANCE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-01-09 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 (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-11786481-B2 Formulation and process for modulating wound healing SQSTM1, ATG7, TFEB ACHE 3582/4885APP 4010/4885GRM5 4477/4885
US-20110130468-A1 HYDROXYLATED TOLANS AND RELATED COMPOUNDS IN THE TREATMENT OF A CANCER TKT, HAAO, TTPA ACHE 4095/4885APP 4407/4885GRM5 4857/4885

“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.