SCHEMBL18935539

SCHEMBL18935539

C=CN(/C(=C/CC)CC)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ TSHR P16473 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TP53 P04637 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NTSR1 P30989 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ POLB P06746 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
SCHEMBL18935538 0.77 ALDH1A1 (0.37) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL12411240 0.77 FAAH (0.41) ALDH1A1TSHRGLAKMT2ALMNA
SCHEMBL14313870 0.75 ALDH1A1 (0.44) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL273919 0.68 KMT2A (0.46) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL20059312 0.68 NPSR1 (0.38) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL10357566 0.68 CTDSP1 (0.50) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL3257322 0.67 NPSR1 (0.44) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL8060946 0.67 NPSR1 (0.40) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL2390372 0.66 NPSR1 (0.43) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL10874603 0.66 NPSR1 (0.39) ALDH1A1TSHRGLAMEN1KMT2A

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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS ALDH1A1 4640/4885TSHR 3658/4885GLA 2926/4885

“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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