SCHEMBL4823765

SCHEMBL4823765

[Sc].c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
ALOX12 P18054 1/20 0.65
CASP1 P29466 1/20 0.65
HSD17B10 Q99714 1/20 0.65
MAOA P21397 4/20 0.63
MAOB P27338 3/20 0.63
TDP1 Q9NUW8 2/20 0.61
TAAR1 Q96RJ0 2/20 0.61
CYP2A6 P11509 1/20 0.61
HTR2A P28223 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
LOXL2 Q9Y4K0 1/20 0.61
KCNH2 Q12809 1/20 0.57
CALM1 P0DP23 1/20 0.56
FFAR1 O14842 1/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL9741303 0.96 ALDH1A1 (0.69) ALDH1A1HPGDALOX15ALOX12CASP1
Benzene SCHEMBL3440179 0.96 ALDH1A1 (0.69) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL62125 0.96 ALDH1A1 (0.69) ALDH1A1HPGDALOX15ALOX12CASP1
Cyanide SCHEMBL27637125 0.93 ALDH1A1 (0.58) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL25402413 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL55138 0.92 MAOB (0.72) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11747668 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL1793454 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL3759913 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
Iodide SCHEMBL9705905 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1

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
EP-1337536-B1 CATIONIC GROUP-3 CATALYST SYSTEM EXXONMOBIL CHEM PATENTS INC (US) 2012-09-12 EP disclosed
US-7390861-B2 Cationic group-3 catalyst system EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-06-24 US disclosed
US-20040033891-A1 Cationic group-3 catalyst system EXXONMOBIL CHEMICAL PATENTS INC. 2004-02-19 US disclosed
CN-1469881-A cationic Group 3 catalyst system ����ɭ���ڻ�ѧר����˾ 2004-01-21 CN disclosed
EP-1337536-A1 CATIONIC GROUP-3 CATALYST SYSTEM ExxonMobil Chemical Patents Inc. (US) 2003-08-27 EP disclosed
WO-2002032909-A1 CATIONIC GROUP-3 CATALYST SYSTEM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-04-25 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-20040033891-A1 Cationic group-3 catalyst system COG3, ORC3, LIG3 ALDH1A1 3904/4885HPGD 3548/4885ALOX15 432/4885

“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.