SCHEMBL18938949

SCHEMBL18938949

O=Cc1ccc(CN2Cc3ccccc3C2=O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ BDKRB1 P46663 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ACHE P22303 1/20 0.39
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL18940682 0.88 KDM4E (0.43) KDM4EALOX15TSHRSIRT1BDKRB1
SCHEMBL23349230 0.78 KDM4E (0.57) KDM4EALOX15TSHRSIRT1BDKRB1
SCHEMBL14321537 0.77 RXFP1 (0.47) TSHRKMT2AMEN1NPC1ALDH1A1
SCHEMBL2026716 0.72 DRD2 (0.55) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL12604850 0.70 KMT2A (0.57) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL29630944 0.70 KMT2A (0.60) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL1466305 0.70 KMT2A (0.60) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL19852202 0.70 KDM4E (0.55) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL2028436 0.70 BDKRB1 (0.58) KDM4EALOX15TSHRSIRT1BDKRB1
SCHEMBL13613506 0.70 MEN1 (0.55) KDM4EALOX15TSHRSIRT1BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158675-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-06-08 — — US 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-20170158675-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS KDM4E 3388/4885ALOX15 155/4885TSHR 1093/4885

“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.

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