SCHEMBL22336232

SCHEMBL22336232

C=CC1=C(C=C)C(O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HTR7 P34969 1/20 0.30
HTR2B P41595 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
SCHEMBL31494254 0.77
SCHEMBL216862 0.69 MAOA (0.52) KDM4EMEN1ALDH1A1TP53CYP3A4
SCHEMBL29884836 0.69 MAOA (0.52) KDM4EMEN1ALDH1A1TP53CYP3A4
SCHEMBL29376368 0.69 MAOA (0.52) KDM4EMEN1ALDH1A1TP53CYP3A4
Formaldehyde SCHEMBL28887991 0.68 HTR2B (0.47) KDM4EMEN1ALDH1A1TP53CYP3A4
SCHEMBL22651835 0.67
SCHEMBL13679258 0.67 HTR2A (0.33)
SCHEMBL27688305 0.67 MAOA (0.50) KDM4EMEN1ALDH1A1TP53CYP3A4
SCHEMBL7152778 0.66 ALDH1A1 (0.45) KDM4EMEN1ALDH1A1TP53CYP3A4
SCHEMBL5067175 0.65

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-20200255371-A1 COMPOSITIONS AND METHODS OF MAKING EXPANDED HEMATOPOIETIC STEM CELLS USING DERIVATIVES OF FLUORENE IMMUNEBRIDGE LLC 2020-08-13 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-20200255371-A1 COMPOSITIONS AND METHODS OF MAKING EXPANDED HEMATOPOIETIC STEM CELLS USING DERIVATIVES OF FLUORENE FLI1, MCL1, HCLS1 KDM4E 3546/4885MEN1 1060/4885ALDH1A1 193/4885

“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.