SCHEMBL5838693

SCHEMBL5838693

[H-].[H-].c1ccc2c(c1)Cc1c([Zr+2]c3cccc4c3Cc3ccccc3-4)cccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTR7 P34969 2/20 0.41
HTR2B P41595 2/20 0.41
MAOA P21397 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 2/20 0.36
CES1 P23141 1/20 0.36

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
Hydrochloric Acid SCHEMBL10513406 0.98 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL618215 0.96 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
Fluoride Ion SCHEMBL1131318 0.96 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
Bromide SCHEMBL7878842 0.96 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL29479988 0.96 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL27464371 0.81 PNMT (0.39) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30103334 0.80 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL524602 0.80 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL2877998 0.78 PNMT (0.61) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL646564 0.78 PNMT (0.39) PNMTNPC1RAB9AHTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074736-B2 Hydrozirconated matrix and process for polyolefin production ROHM AND HAAS COMPANY (US) 2006-07-11 US claimed
EP-1201684-A2 Hydrozirconated matrix and process for polyolefin production ROHM AND HAAS COMPANY (US) 2002-05-02 EP claimed
US-20020052536-A1 Hydrozirconated matrix and process for polyolefin production ROHM AND HAAS COMPANY 2002-05-02 US claimed
US-7074736-B2 Hydrozirconated matrix and process for polyolefin production ROHM AND HAAS COMPANY (US) 2006-07-11 US disclosed
EP-1201684-A2 Hydrozirconated matrix and process for polyolefin production ROHM AND HAAS COMPANY (US) 2002-05-02 EP disclosed
US-20020052536-A1 Hydrozirconated matrix and process for polyolefin production ROHM AND HAAS COMPANY 2002-05-02 US disclosed
US-5916982-A Process for the production of polyolefins NIPPON OIL CO., LTD. (JP) 1999-06-29 US disclosed
EP-0768320-A1 Catalyst component and catalyst NIPPON OIL CO. LTD. (JP) 1997-04-16 EP disclosed
EP-0768319-A1 Process for the production of polyolefins NIPPON OIL CO. LTD. (JP) 1997-04-16 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 (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-20020052536-A1 Hydrozirconated matrix and process for polyolefin production HOGA1, PPIP5K2, HPD PNMT 868/4885NPC1 3687/4885RAB9A 4091/4885

“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.