SCHEMBL7542830

SCHEMBL7542830

CCc1ccccc1CC.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.55
GABRB2 P47870 4/20 0.55
MGLL Q99685 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CTSB P07858 1/20 0.40
PSIP1 O75475 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL29390847 0.96 GABRA1 (0.58) GABRA1GABRB2MGLLTP53MAPT
SCHEMBL36294 0.96 GABRA1 (0.58) GABRA1GABRB2MGLLTP53MAPT
SCHEMBL25425763 0.96 GABRA1 (0.58) GABRA1GABRB2MGLLTP53MAPT
SCHEMBL30988351 0.93 GABRA1 (0.55) GABRA1GABRB2MGLLTP53MAPT
Ammonia Solution, Strong SCHEMBL2638008 0.93 GABRA1 (0.55) GABRA1GABRB2MGLLTP53MAPT
Benzene SCHEMBL11603070 0.93 TP53 (0.56) GABRA1GABRB2MGLLTP53MAPT
SCHEMBL14807864 0.93 GABRA1 (0.55) GABRA1GABRB2MGLLTP53MAPT
SCHEMBL25402639 0.93 GABRA1 (0.55) GABRA1GABRB2MGLLTP53MAPT
Benzene SCHEMBL3122858 0.93 TP53 (0.56) GABRA1GABRB2MGLLTP53MAPT
SCHEMBL28866250 0.93 GABRA1 (0.55) GABRA1GABRB2MGLLTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020038049-A1 SULPHONATION PROCESS AND NOVEL SULPHONATED COMPOUNDS MANRO PERFOMANCE CHEMICALS LIMITED (GB) 2002-03-28 US disclosed
EP-0998453-A1 SULPHONATION PROCESS AND NOVEL SULPHONATED COMPOUNDS Manro Performance Chemicals Limited (GB) 2000-05-10 EP disclosed
WO-1999061415-A1 SULPHONATION PROCESS AND NOVEL SULPHONATED COMPOUNDS MANRO PERFORMANCE CHEMICALS LIMITED (GB) 1999-12-02 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 (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-20020038049-A1 SULPHONATION PROCESS AND NOVEL SULPHONATED COMPOUNDS TST, STS, SULT2A1 GABRA1 650/4885GABRB2 266/4885MGLL 1151/4885

“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.