SCHEMBL21626552

SCHEMBL21626552

Cc1ccc(N(c2ccccc2)c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 4/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP2D6 P10635 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
APP P05067 1/20 0.41
HPGD P15428 3/20 0.41

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
SCHEMBL24060995 1.00 CES2 (0.50) CES2CES1LMNAPOLBRAB9A
SCHEMBL5937851 0.98 CES2 (0.52) CES2CES1LMNAPOLBRAB9A
SCHEMBL14199227 0.98 CES2 (0.52) CES2CES1LMNAPOLBRAB9A
SCHEMBL21146559 0.94 CES2 (0.46) CES2CES1LMNAPOLBRAB9A
SCHEMBL15858536 0.89 ALDH1A1 (0.52) CES2CES1RAB9ANPC1MEN1
SCHEMBL13480599 0.89 ALDH1A1 (0.52) CES2CES1RAB9ANPC1MEN1
SCHEMBL14018343 0.89 ALDH1A1 (0.52) CES2CES1RAB9ANPC1MEN1
SCHEMBL7699921 0.89 ALDH1A1 (0.52) CES2CES1RAB9ANPC1MEN1
SCHEMBL13515162 0.89 ALDH1A1 (0.52) CES2CES1RAB9ANPC1MEN1
SCHEMBL14199228 0.89 ALDH1A1 (0.46) CES2CES1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220048923-A1 LUMINOGENS FOR BIOLOGICAL APPLICATIONS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-02-17 US disclosed
US-11186586-B2 Luminogens for biological applications THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-11-30 US disclosed
US-10753941-B2 Biocompatible nanoparticles with aggregation induced emission characteristics as fluorescent bioprobes and methods of using the same for in vitro and in vivo imaging THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-25 US disclosed
WO-2020015700-A1 PHOTOTHERMAL AGENTS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-01-23 WO 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 (3 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-20220048923-A1 LUMINOGENS FOR BIOLOGICAL APPLICATIONS BTD, TPD52L2, TTPA CES2 2500/4885CES1 3416/4885LMNA 2727/4885
US-10753941-B2 Biocompatible nanoparticles with aggregation induced emission characteristics as fluorescent bioprobes and methods of using the same for in vitro and in vivo imaging LGALS3, LGALS1, CD63 CES2 1897/4885CES1 2038/4885LMNA 1623/4885
US-11186586-B2 Luminogens for biological applications BTD, LTA, TPD52L2 CES2 2973/4885CES1 3628/4885LMNA 2312/4885

“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.