SCHEMBL23712947

SCHEMBL23712947

Cc1nc2c(n1C)CCCCCC2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
HPGD P15428 3/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
TSHR P16473 1/20 0.33
MAPK10 P53779 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL23712823 1.00 KDM4E (0.35) KDM4EHPGDRAB9ANPC1AGTR1
SCHEMBL16638735 0.98 KDM4E (0.36) KDM4EHPGDRAB9ANPC1AGTR1
SCHEMBL10252360 0.93 KDM4E (0.36) KDM4EHPGDRAB9ANPC1TSHR
SCHEMBL5142218 0.74 KDM4E (0.49) KDM4EHPGDRAB9ANPC1TSHR
SCHEMBL10671834 0.71 AGTR1 (0.40) KDM4EAGTR1AGTR2TSHRALDH1A1
SCHEMBL24575215 0.71 KMT2A (0.33) KDM4ERAB9ATSHRMAPK10PKM
SCHEMBL8277482 0.71 PDCD1 (0.38) HPGDGAAALDH1A1HRH3LMNA
SCHEMBL1159646 0.71 CYP2C19 (0.41) HPGDGAAALDH1A1HRH3LMNA
SCHEMBL17895819 0.69 KDM4E (0.44) KDM4EHPGDAGTR1AGTR2ALDH1A1
SCHEMBL1701204 0.68 KDM4E (0.36) KDM4EHPGDTSHRMAPK10ALDH1A1

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-11081651-B2 Organic semiconductor element, organic semiconductor composition, method of manufacturing organic semiconductor film, organic semiconductor film, and compound and polymer using the same FUJIFILM CORPORATION (JP) 2021-08-03 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-11081651-B2 Organic semiconductor element, organic semiconductor composition, method of manufacturing organic semiconductor film, organic semiconductor film, and compound and polymer using the same SNRPD2, SNRPD1, RER1 KDM4E 3411/4885HPGD 4401/4885RAB9A 2963/4885

“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.