SCHEMBL822812

SCHEMBL822812

CCCCOCCCCCCCO

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
THRB P10828 1/20 0.70
HTT P42858 1/20 0.70
MAPT P10636 1/20 0.70
LMNA P02545 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HSD17B10 Q99714 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.55
USP2 O75604 1/20 0.48
ACHE P22303 6/20 0.47
CES2 O00748 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL874676 1.00 TSHR (0.71) TSHRMEN1KMT2ATHRBHTT
SCHEMBL11081210 1.00 TSHR (0.71) TSHRMEN1KMT2ATHRBHTT
SCHEMBL2532324 1.00 TSHR (0.71) TSHRMEN1KMT2ATHRBHTT
SCHEMBL29098933 1.00 TSHR (0.71) TSHRMEN1KMT2ATHRBHTT
SCHEMBL9083720 1.00 TSHR (0.71) TSHRMEN1KMT2ATHRBHTT
SCHEMBL5434893 1.00 TSHR (0.71) TSHRMEN1KMT2ATHRBHTT
SCHEMBL4495197 0.97 MEN1 (0.74) TSHRMEN1KMT2ATHRBHTT
1,4-Butanediol SCHEMBL9011697 0.97 MEN1 (0.74) TSHRMEN1KMT2ATHRBHTT
SCHEMBL13500010 0.97 MEN1 (0.74) TSHRMEN1KMT2ATHRBHTT
1,6-Hexanediol SCHEMBL9011792 0.97 MEN1 (0.74) TSHRMEN1KMT2ATHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 US disclosed
US-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 US disclosed
US-8049022-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-01 US disclosed
US-20090312432-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-5512207-A Azaaromatic compounds, process for their preparation, and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-30 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 (4 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-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 TSHR 2022/4885MEN1 596/4885KMT2A 3278/4885
US-20090312432-A1 FLUOROSURFACTANTS SGMS2, FASN, SGMS1 TSHR 1160/4885MEN1 4032/4885KMT2A 2019/4885
US-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 TSHR 754/4885MEN1 3996/4885KMT2A 3037/4885
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF HRAS, KRAS, TP53 TSHR 2022/4885MEN1 596/4885KMT2A 3278/4885

“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.