SCHEMBL14075878

SCHEMBL14075878

CC[C@@H](C)N/N=c1/cccc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RAB9A P51151 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ SIGMAR1 Q99720 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
SCHEMBL2272041 0.71 — —
SCHEMBL22627535 0.67 — —
SCHEMBL8991849 0.67 FKBP5 (0.36) —
SCHEMBL24970031 0.67 FKBP5 (0.36) —
SCHEMBL28082096 0.67 NPSR1 (0.38) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL28675880 0.64 — —
SCHEMBL5351108 0.63 FKBP5 (0.37) ALDH1A1TP53TSHRSMN1; SMN2TDP1
SCHEMBL28495107 0.61 — —
SCHEMBL10086938 0.61 ALDH1A1 (0.35) ALDH1A1THRBSMN1; SMN2L3MBTL1MEN1
SCHEMBL15842012 0.61 HTR5A (0.39) TP53CYP3A4TSHRMEN1KMT2A

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-20080233410-A1 Transition metal complex compound IDEMITSU KOSAN CO., LTD. (JP) 2008-09-25 — — 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-20080233410-A1 Transition metal complex compound EMC2, INTS9, LEF1 ALDH1A1 1879/4885TP53 4641/4885HSP90AA1 4861/4885

“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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