SCHEMBL16010022

SCHEMBL16010022

C#CCNC(=O)OCc1cc(=O)oc2cc(O)c(Br)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
NPC1 O15118 6/20 0.42
POLB P06746 3/20 0.41
MCL1 Q07820 4/20 0.41
AKR1B1 P15121 1/20 0.41
HSD17B3 P37058 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
GLA P06280 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 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
SCHEMBL16009531 0.84 ALDH1A1 (0.39) KDM4EMEN1KMT2ANPC1POLB
SCHEMBL14008326 0.83 MCL1 (0.41) KDM4ELMNAMEN1KMT2ANPC1
SCHEMBL14035020 0.83 KDM4E (0.41) KDM4ELMNAMEN1KMT2ANPC1
SCHEMBL14008325 0.82 CYP1A1 (0.42) KDM4ELMNAMEN1KMT2ANPC1
SCHEMBL5336455 0.81 KDM4E (0.48) KDM4ELMNAMEN1KMT2ANPC1
SCHEMBL299767 0.81 MCL1 (0.50) KDM4ELMNAMEN1KMT2ANPC1
SCHEMBL14035111 0.81 MEN1 (0.41) KDM4ELMNAMEN1KMT2ANPC1
SCHEMBL29806171 0.80 MCL1 (0.52) KDM4ELMNAMEN1KMT2ANPC1
SCHEMBL299768 0.80 MCL1 (0.52) KDM4ELMNAMEN1KMT2ANPC1
SCHEMBL27153996 0.79 KDM4E (0.44) KDM4ELMNAMEN1KMT2ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256015-A1 CAGED COMPOUND WHICH CAN BE PHOTOACTIVATED SELECTIVELY FOR CELL TYPES TOHO UNIVERSITY (JP) 2014-09-11 US disclosed
US-20140256015-A1 CAGED COMPOUND WHICH CAN BE PHOTOACTIVATED SELECTIVELY FOR CELL TYPES TOHO UNIVERSITY (JP) 2014-09-11 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-20140256015-A1 CAGED COMPOUND WHICH CAN BE PHOTOACTIVATED SELECTIVELY FOR CELL TYPES CTSK, CTSF, TPX2 KDM4E 697/4885LMNA 1713/4885MEN1 4612/4885

“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.