SCHEMBL20090232

SCHEMBL20090232

S=P(c1ccc2ccccc2c1)(c1ccc2cc(-c3ccc4c5ccc6ccccc6c5c5nc6ccccc6n5c4c3)ccc2c1)c1ccc2cccnc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
METAP2 P50579 1/20 0.31
UTRN P46939 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 1/20 0.31

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
SCHEMBL20090108 0.93 HPGD (0.35) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090231 0.91 UTRN (0.35) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090230 0.90 NPC1 (0.36) METAP2UTRNTUBB4ATUBBTUBA3C
SCHEMBL20090100 0.89 HPGD (0.39) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090088 0.89 HPGD (0.39) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090093 0.88 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090094 0.88 POLB (0.38) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090226 0.87 HPGD (0.34) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090085 0.85 HPGD (0.40) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090079 0.85 HPGD (0.41) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180114923-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-04-26 US disclosed
US-20180114923-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-04-26 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-20180114923-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 ALDH1A1 750/4885HPGD 2982/4885KDM4E 1997/4885

“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.