SCHEMBL5000471

SCHEMBL5000471

Cc1cc(Br)ccc1OCC=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL4016055 0.82 ALDH1A1 (0.56) KDM4ELMNAALDH1A1POLBHPGD
SCHEMBL2553310 0.81 L3MBTL1 (0.45) KDM4ELMNAALDH1A1HPGDKMT2A
SCHEMBL2599760 0.79 ALDH1A1 (0.49) KDM4ELMNAALDH1A1POLBHPGD
SCHEMBL29863367 0.79 KDM4E (0.50) KDM4ELMNAALDH1A1HPGDNPSR1
SCHEMBL29863189 0.79 MRGPRX4 (0.47) LMNAALDH1A1POLBHPGDKMT2A
SCHEMBL10144037 0.79 KDM4E (0.50) KDM4ELMNAALDH1A1HPGDNPSR1
SCHEMBL24933586 0.79 KDM4E (0.44) KDM4EALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL14290417 0.79 PTGDR2 (0.64) LMNAALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL15758450 0.79 SMN1; SMN2 (0.50) KDM4ELMNAALDH1A1POLBHPGD
SCHEMBL17311030 0.78 PTGDR2 (0.61) KDM4ELMNAALDH1A1HPGDNPSR1

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
CN-110143932-B Piperazinone derivatives, process for producing the same, inhibitor, and method for controlling root-parasitic weeds 南开大学 2022-09-16 CN disclosed
US-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 US disclosed
EP-1611105-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2006-01-04 EP disclosed
WO-2004094386-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2004-11-04 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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF KDM4E 3055/4885LMNA 2885/4885ALDH1A1 4411/4885

“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.