SCHEMBL7542835

SCHEMBL7542835

CCc1ccc(CC)cc1.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
TAAR1 Q96RJ0 1/20 0.58
CYP2A6 P11509 2/20 0.55
LPL P06858 1/20 0.55
LIPG Q9Y5X9 1/20 0.55
ALDH1A1 P00352 1/20 0.52
CA2 P00918 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PLAU P00749 1/20 0.48
LMNA P02545 1/20 0.48
TRPA1 O75762 1/20 0.48
MGLL Q99685 2/20 0.46
IDO1 P14902 2/20 0.46
PLK1 P53350 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL36295 0.96 TP53 (0.67) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL28166306 0.92 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL31498555 0.92 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG
Ammonia Solution, Strong SCHEMBL27293386 0.92 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL27756675 0.92 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG
Hydrogen Sulfide SCHEMBL29290777 0.92 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL27339836 0.92 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG
Hydrogen Sulfide SCHEMBL27925242 0.92 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG
Hydrochloric Acid SCHEMBL25251831 0.88 TP53 (0.59) TP53TAAR1CYP2A6LPLLIPG
Hydrogen Peroxide SCHEMBL28370411 0.88 TP53 (0.69) TP53TAAR1CYP2A6LPLLIPG

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 5 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
CN-1058002-C Method for treatment of mixture of hydroperoxide SUMITOMO CHEMICAL CO (JP) 2000-11-01 CN 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
CN-1128754-A Method for treatment of mixture of hydroperoxide SUMITOMO CHEMICAL CO (JP) 1996-08-14 CN 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 TP53 4692/4885TAAR1 1099/4885CYP2A6 86/4885

“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.