Sugi Predict

Sugi Predict / Compounds / SCHEMBL4772254

SCHEMBL4772254

SCHEMBL4772254

CCCC[Sn](CCCC)(CCCC)c1ccccc1CC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP3A4 P08684 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ TSHR P16473 4/20 0.33
▸ CES2 O00748 2/20 0.33
▸ CES1 P23141 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL2480474 0.73 SLC6A4 (0.38) KDM4ECYP3A4CYP2D6CYP2C19TSHR
SCHEMBL1839511 0.73 TSHR (0.47) L3MBTL1POLBKDM4ECYP3A4HTT
SCHEMBL6805430 0.72 L3MBTL1 (0.57) L3MBTL1POLBCYP3A4CES2CES1
SCHEMBL11202895 0.72 TSHR (0.39) L3MBTL1POLBKDM4ENPC1RAB9A
SCHEMBL11444088 0.71 LIPG (0.56) LIPGTHRATHRBBIDBCL2L1
SCHEMBL5346786 0.71 LIPG (0.56) LIPGTHRATHRBBIDBCL2L1
SCHEMBL4766593 0.71 GABRA1 (0.40) L3MBTL1KDM4ECYP3A4HTTTSHR
SCHEMBL7150622 0.70 L3MBTL1 (0.52) L3MBTL1POLBCYP3A4LMNAMAPT
Benzene SCHEMBL10992898 0.70 L3MBTL1 (0.60) L3MBTL1POLBCYP3A4CES2CES1
SCHEMBL4772252 0.70 ALDH1A1 (0.43) POLBKDM4ECYP1A2CYP2D6LMNA

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
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 — — EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 — — US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 — — US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 — — US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 — — US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 — — US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 — — EP 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 L3MBTL1 4124/4885POLB 3161/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 L3MBTL1 2776/4885POLB 3192/4885KDM4E 1058/4885

“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.