SCHEMBL22288166

SCHEMBL22288166

CCCCC(C)c1c2ccccc2cc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TACR3 P29371 2/20 0.39
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
HTR2A P28223 1/20 0.37
LMNA P02545 2/20 0.37
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SCN3A Q9NY46 1/20 0.37
KDM4E B2RXH2 1/20 0.35
NR1I2 O75469 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL22288178 0.95 MAPT (0.41) MAPTKMT2AMEN1TACR3NPC1
SCHEMBL8211957 0.84 TACR3 (0.42) MAPTKMT2AMEN1TACR3NPC1
SCHEMBL22288182 0.82 TACR3 (0.41) MAPTKMT2AMEN1TACR3NPC1
SCHEMBL18949976 0.81 HTR2A (0.42) KMT2AMEN1L3MBTL1HTR2ACYP1A2
SCHEMBL28880007 0.80 TACR3 (0.36) MAPTKMT2AMEN1TACR3NPC1
SCHEMBL8207670 0.80 MAPT (0.43) MAPTKMT2AMEN1TACR3NPC1
SCHEMBL10361949 0.79 MAPT (0.45) MAPTKMT2AMEN1TACR3NPC1
SCHEMBL11746274 0.78 KMT2A (0.36) MAPTKMT2AMEN1TACR3NPC1
SCHEMBL2113581 0.77 MAPT (0.41) MAPTKMT2AMEN1TACR3NPC1
SCHEMBL1610851 0.77 TACR3 (0.36) MAPTKMT2AMEN1TACR3NPC1

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
US-11685702-B2 Method for producing arene compounds and arene compounds produced by the same JSI SILICONE CO. (KR) 2023-06-27 US disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
US-20210188739-A1 METHOD FOR PRODUCING ARENE COMPOUNDS AND ARENE COMPOUNDS PRODUCED BY THE SAME JSI SILICONE CO. (KR) 2021-06-24 US disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 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-20210188739-A1 METHOD FOR PRODUCING ARENE COMPOUNDS AND ARENE COMPOUNDS PRODUCED BY THE SAME PFAS, FRK, AGPAT2 MAPT 3934/4885KMT2A 801/4885MEN1 853/4885
US-11685702-B2 Method for producing arene compounds and arene compounds produced by the same PFAS, FRK, AGPAT2 MAPT 3934/4885KMT2A 801/4885MEN1 853/4885

“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.