SCHEMBL22801901

SCHEMBL22801901

O=C1CCCC(=O)O1.O=C1CCCc2nc3ccccc3n21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 4/20 0.38
ALOX15 P16050 2/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
BCHE P06276 1/20 0.38
CFTR P13569 1/20 0.38
ACHE P22303 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
GOPC Q9HD26 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 2/20 0.37

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
SCHEMBL7484548 0.91 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL9255441 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL22801900 0.73 KMT2A (0.42) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL7477785 0.65 LMNA (0.42) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17910548 0.64 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
Bromide SCHEMBL8073581 0.64 LMNA (0.41) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL503163 0.63 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHSD17B10ALOX15
SCHEMBL10919036 0.63 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL840083 0.62 MEN1 (0.59) ALDH1A1MEN1KMT2AHPGDLMNA
Phthalic Anhydride SCHEMBL8491894 0.61 TDP1 (0.64) ALDH1A1MEN1KMT2AHPGDHSD17B10

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-20200399287-A1 VISIBLE LIGHT ACTIVATED PRINTING INK NANO AND ADVANCED MATERIALS INSTITUTE LIMITED (HK) 2020-12-24 US claimed

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-20200399287-A1 VISIBLE LIGHT ACTIVATED PRINTING INK RB1, VCL, SMARCA4 ALDH1A1 1677/4885MEN1 3563/4885KMT2A 811/4885

“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.