SCHEMBL21726232

SCHEMBL21726232

COCCOCCOc1ccc(-c2ccc(C)s2)s1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.35
TSHR P16473 1/20 0.34
MAOA P21397 1/20 0.33
DYRK1A Q13627 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
NCF1 P14598 7/20 0.32
P2RX3 P56373 5/20 0.32
CYBB P04839 3/20 0.32
NOX5 Q96PH1 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DCK P27707 1/20 0.31

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
SCHEMBL20668959 0.84 DPP4 (0.36) CHEK1TSHR
SCHEMBL15548770 0.80 DPP4 (0.50) KDM4ENPC1ALDH1A1MAPTHSD17B10
SCHEMBL16806589 0.79 DPP4 (0.39) CHEK1KDM4ERECQLALDH1A1MAPT
SCHEMBL13410232 0.76 DPP4 (0.39) CHEK1NPC1ALDH1A1MAPTGFER
SCHEMBL19792676 0.74 NCF1 (0.41) KDM4ERECQLNCF1
SCHEMBL10164688 0.73 ICAM1 (0.32) CHEK1NPC1ALDH1A1MAPTGFER
SCHEMBL10164687 0.73 ICAM1 (0.32) CHEK1NPC1ALDH1A1MAPTGFER
SCHEMBL16781498 0.72 KDM4E (0.33) CHEK1KDM4ERECQL
SCHEMBL14392831 0.67 LTA4H (0.34) KDM4ENPC1ALDH1A1MAPT
SCHEMBL29764 0.67 NPC1 (0.52) KDM4ENPC1ALDH1A1MAPTGFER

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-10566551-B2 Fluorescent compounds of the boron thienyldipyrromethene type, and their use CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-02-18 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-10566551-B2 Fluorescent compounds of the boron thienyldipyrromethene type, and their use BTD, DBF4, BRPF1 CHEK1 1639/4885TSHR 2292/4885MAOA 2251/4885

“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.