SCHEMBL11041549

SCHEMBL11041549

CCC(C)(C)CNc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CTSD P07339 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNN4 O15554 1/20 0.35

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
SCHEMBL11442104 0.83 SIGMAR1 (0.45) MAPTALDH1A1SIGMAR1L3MBTL1TSHR
SCHEMBL9572856 0.83 SIGMAR1 (0.41) MAPTALDH1A1SIGMAR1L3MBTL1TSHR
SCHEMBL3732806 0.81 MAPT (0.48) MAPTALDH1A1SIGMAR1L3MBTL1TSHR
SCHEMBL20626603 0.81 MAPT (0.50) MAPTALDH1A1SIGMAR1L3MBTL1TSHR
Hydrochloric Acid SCHEMBL17710416 0.79 MAPT (0.46) MAPTALDH1A1SIGMAR1L3MBTL1TSHR
SCHEMBL11478052 0.78 CTSD (0.41) L3MBTL1KMT2ACTSD
SCHEMBL13185539 0.78 HPGD (0.48) MAPTALDH1A1SIGMAR1L3MBTL1MEN1
SCHEMBL21799681 0.78 MAPT (0.39) MAPTALDH1A1L3MBTL1TSHRMEN1
SCHEMBL13167597 0.78 CA1 (0.42) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL21379732 0.78 MAPT (0.41) MAPTALDH1A1SIGMAR1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946180-A Chiral iridium complex and preparation method and application thereof 南方科技大学 2024-04-30 CN disclosed
CN-113041913-A Simple mixing processing device for high polymer material and auxiliary agent screening method thereof 北京理工大学 2021-06-29 CN disclosed
US-20190330189-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2019-10-31 US disclosed
CN-104379559-B Compound (I) 葛兰素集团有限公司 2016-11-09 CN disclosed
CN-104379559-A Novel compounds GLAXO GROUP LTD 2015-02-25 CN disclosed
US-4468526-A Process for the preparation of thiuram disulfides AKZONA INCORPORATED (US) 1984-08-28 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 (1 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-20190330189-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 MAPT 1437/4885ALDH1A1 1869/4885SIGMAR1 2451/4885

“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.