SCHEMBL2968265

SCHEMBL2968265

[c]1c(C2CCCCC2)sc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TXN P10599 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
MAOB P27338 1/20 0.31
PTPRC P08575 1/20 0.30
PTPRF P10586 1/20 0.30
PTPN1 P18031 1/20 0.30
CDC25B P30305 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL7108128 0.71 TXN (0.31) ALDH1A1HPGDTDP1TXN
SCHEMBL2967878 0.64 PDE5A (0.35) TDP1KDM4EPTPRCPTPRFPTPN1
SCHEMBL2959582 0.64 TDP1 (0.37) ALDH1A1TDP1KDM4EPTPRCPTPRF
SCHEMBL218556 0.62 GPR3 (0.35)
SCHEMBL1121576 0.62 GPR3 (0.35)
SCHEMBL3249937 0.62 CYP1B1 (0.34) ALDH1A1TDP1NPC1RAB9APTPRC
SCHEMBL2967879 0.61 PDE5A (0.35) TDP1TXNKDM4ECYP11B2
SCHEMBL816962 0.61 KMT2A (0.71) ALDH1A1HPGDTDP1TXNMEN1
SCHEMBL28509995 0.61 GPR3 (0.40) ALDH1A1HPGDTDP1MEN1KMT2A
SCHEMBL28506840 0.61 GPR3 (0.40) ALDH1A1HPGDTDP1MEN1KMT2A

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-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 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-20100025661-A1 Luminescent material and organic electroluminescent device using the same TRPV3, TRPC3, HVCN1 ALDH1A1 944/4885HPGD 3560/4885TDP1 2987/4885

“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.