SCHEMBL21797208

SCHEMBL21797208

COc1ccc(C(=C(c2ccccc2)c2ccc(-c3sc(-c4ccc(C(=C(c5ccc(OC)cc5)c5ccc(OC)cc5)c5ccccc5)cc4)c(N)c3N)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
HDAC2 Q92769 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL21797204 0.82 ALDH1A1 (0.52) ALOX5MAPTMEN1KMT2AALDH1A1
SCHEMBL20287938 0.81 ALOX5 (0.47) CES2CES1CNR1CNR2ALOX5
SCHEMBL28243502 0.80 CES2 (0.60) CES2CES1MAPTMEN1KMT2A
SCHEMBL30741457 0.80 CES2 (0.69) CES2CES1MAPTALDH1A1MAPK1
SCHEMBL9723456 0.80 CES2 (0.69) CES2CES1MAPTALDH1A1MAPK1
SCHEMBL68050 0.80 CES2 (0.69) CES2CES1MAPTALDH1A1MAPK1
SCHEMBL68051 0.80 CES2 (0.69) CES2CES1MAPTALDH1A1MAPK1
SCHEMBL21797207 0.79 MAPT (0.50) CES2CES1CNR1CNR2ALOX5
SCHEMBL20287958 0.77 MAPT (0.39) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL20288077 0.76 CES2 (0.45) CES2CES1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162889-B2 Luminogens for biological applications THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2024-12-10 US disclosed
CN-110312708-B Luminescent materials for biological applications 香港科技大学 2023-07-18 CN disclosed
US-20220048923-A1 LUMINOGENS FOR BIOLOGICAL APPLICATIONS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-02-17 US disclosed
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-11186586-B2 Luminogens for biological applications THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-11-30 US disclosed
US-20200079787-A1 LUMINOGENS FOR BIOLOGICAL APPLICATIONS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-03-12 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 (4 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-12162889-B2 Luminogens for biological applications BTD, TPD52L2, TTPA CES2 2500/4885CES1 3416/4885CNR1 4485/4885
US-20200079787-A1 LUMINOGENS FOR BIOLOGICAL APPLICATIONS BTD, LTA, TPD52L2 CES2 2973/4885CES1 3628/4885CNR1 4516/4885
US-20220048923-A1 LUMINOGENS FOR BIOLOGICAL APPLICATIONS BTD, TPD52L2, TTPA CES2 2500/4885CES1 3416/4885CNR1 4485/4885
US-11186586-B2 Luminogens for biological applications BTD, LTA, TPD52L2 CES2 2973/4885CES1 3628/4885CNR1 4516/4885

“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.