SCHEMBL161441

SCHEMBL161441

COc1[c]c(OC)cc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.48
ALDH1A1 P00352 5/20 0.33
TSHR P16473 1/20 0.32
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 2/20 0.31
PTPN1 P18031 1/20 0.31
MEN1 O00255 1/20 0.31
ERN1 O75460 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30

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
SCHEMBL456529 0.87 ACHE (0.42) ACHEALDH1A1CYP3A4PTPN1
SCHEMBL7951418 0.87 ACHE (0.42) ACHEALDH1A1KMT2AMEN1
SCHEMBL28761737 0.85 ACHE (0.41) ACHEALDH1A1CYP3A4PTPN1
SCHEMBL386286 0.83 ACHE (0.39) ACHE
SCHEMBL1424328 0.83 ACHE (0.39) ACHEMAPT
SCHEMBL19208027 0.83 ACHE (0.39) ACHEALDH1A1CYP3A4TDP1KMT2A
SCHEMBL456298 0.79 ACHE (0.37) ACHE
SCHEMBL4853131 0.79 ABL1 (0.36) ACHEALDH1A1CYP3A4TDP1MAPT
SCHEMBL11503690 0.78 ACHE (0.35) ACHERECQL
SCHEMBL19724 0.77 ALDH1A1 (0.56) ALDH1A1CYP3A4TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
US-20040043995-A1 Novel triazole derivatives, process for their preparation and pharmaceutical compositions containing them BIGNON ERIC (FR) 2004-03-04 US claimed
EP-0984960-B1 N-TRIAZOLYL-2-INDOLECARBOXAMIDES AND THEIR USE AS CCK-A AGONISTS SANOFI SYNTHELABO (FR) 2003-02-05 EP claimed
EP-0984960-A1 N-TRIAZOLYL-2-INDOLECARBOXAMIDES AND THEIR USE AS CCK-A AGONISTS SANOFI-SYNTHELABO (FR) 2000-03-15 EP claimed
WO-1998051686-A1 N-TRIAZOLYL-2-INDOLECARBOXAMIDES AND THEIR USE AS CCK-A AGONISTS SANOFI-SYNTHELABO (FR) 1998-11-19 WO claimed
US-5656648-A TREATMENT OF PATHOLOGIES NECESSITATING STIMULATION OF CHOLECYSTOKININ-A RECEPTORS BY TOTAL OR PARTIAL AGONIST EFFECT SANOFI (FR) 1997-08-12 US claimed
EP-0611766-A1 Polysubstituted 2-amido thiazoles derivatives, process for their preparation, pharmaceutical compositions and utilization for the preparation of a medicament SANOFI (FR) 1994-08-24 EP claimed
JP-6070774-A None JP disclosed
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION JNANA THERAPEUTICS INC. 2024-06-27 US disclosed
CN-113896607-B Olefin oligomerization process using a catalyst comprising a chromium complex having a phosphacycle-containing ligand 陶氏环球技术有限责任公司 2024-04-16 CN disclosed
US-11896965-B2 Chromium complex and catalyst therefrom DOW GLOBAL TECHNOLOGIES LLC (US) 2024-02-13 US disclosed
JP-H0670774-A RIBOZYME HAVING THERMODYNAMICALLY STABLE LOOP STRUCTURE SANKYO CO LTD 1994-03-15 JP disclosed
EP-0560724-A1 Benzoyl substituted phosphabicycloalcanes and their sulphides as photoinitiators CIBA-GEIGY AG (CH) 1993-09-15 EP disclosed
EP-0450637-A2 Direct positive color image forming method FUJI PHOTO FILM CO., LTD. (JP) 1991-10-09 EP disclosed
JP-H00670774-A 0001-01-01 JP 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 (7 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-20040043995-A1 Novel triazole derivatives, process for their preparation and pharmaceutical compositions containing them CCKAR, CCKBR, NPY1R ACHE 3455/4885ALDH1A1 2097/4885TSHR 197/4885
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION SLC18A2, SLC6A19, SLC1A1 ACHE 4763/4885ALDH1A1 1257/4885TSHR 2258/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ACHE 1026/4885ALDH1A1 1273/4885TSHR 2455/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ACHE 1026/4885ALDH1A1 1273/4885TSHR 2455/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 ACHE 890/4885ALDH1A1 994/4885TSHR 2846/4885
US-11896965-B2 Chromium complex and catalyst therefrom OXER1, LIG1, PICALM ACHE 110/4885ALDH1A1 4013/4885TSHR 4123/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 ACHE 890/4885ALDH1A1 994/4885TSHR 2846/4885

“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.