SCHEMBL31364604

SCHEMBL31364604

COc1cc(CCNCCc2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.69
TSHR P16473 2/20 0.69
MAPK1 P28482 1/20 0.69
LMNA P02545 1/20 0.67
GLA P06280 1/20 0.67
PTPN1 P18031 2/20 0.65
ALOX5 P09917 2/20 0.64
OR51E2 Q9H255 1/20 0.64
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
ADRB2 P07550 2/20 0.61
DRD2 P14416 2/20 0.61
DRD1 P21728 2/20 0.61
DRD4 P21917 2/20 0.61
DRD3 P35462 2/20 0.61
NOS2 P35228 1/20 0.58
FOS P01100 1/20 0.57
TTR P02766 1/20 0.57
JUN P05412 1/20 0.57
NR3C1 P04150 1/20 0.57

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
SCHEMBL13253616 0.92 TAAR1 (0.63) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL3957501 0.89 CYP1A2 (0.60) TAAR1TSHRMAPK1MTNR1AMTNR1B
SCHEMBL3204252 0.88 ALOX5 (0.63) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL31072681 0.88 POLB (0.72) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL9434465 0.88 POLB (0.72) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL29604390 0.87 PTPN1 (0.82) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL17780116 0.87 PTPN1 (0.82) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL1969543 0.86 TAAR1 (0.56) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL1548853 0.85 ALOX5 (0.60) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL29740697 0.85 PTPN1 (0.79) TAAR1TSHRMAPK1LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122029157-A Bilobalide derivatives for the treatment of neurological diseases and cancers 香港中文大学 2026-05-12 CN claimed
US-20250144069-A1 BILOBALIDE DERIVATIVE COMPOUNDS FOR TREATING NEUROLOGICAL DISEASES AND CANCERS THE CHINESE UNIVERSITY OF HONG KONG (CN) 2025-05-08 US claimed
WO-2025031304-A1 BILOBALIDE DERIVATIVE COMPOUNDS FOR TREATING NEUROLOGICAL DISEASES AND CANCERS THE CHINESE UNIVERSITY OF HONG KONG (CN) 2025-02-13 WO claimed
CN-122029157-A Bilobalide derivatives for the treatment of neurological diseases and cancers 香港中文大学 2026-05-12 CN disclosed
US-20250144069-A1 BILOBALIDE DERIVATIVE COMPOUNDS FOR TREATING NEUROLOGICAL DISEASES AND CANCERS THE CHINESE UNIVERSITY OF HONG KONG (CN) 2025-05-08 US disclosed
WO-2025031304-A1 BILOBALIDE DERIVATIVE COMPOUNDS FOR TREATING NEUROLOGICAL DISEASES AND CANCERS THE CHINESE UNIVERSITY OF HONG KONG (CN) 2025-02-13 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 (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-20250144069-A1 BILOBALIDE DERIVATIVE COMPOUNDS FOR TREATING NEUROLOGICAL DISEASES AND CANCERS BTD, BCHE, BRCA1 TAAR1 4692/4885TSHR 4701/4885MAPK1 3932/4885

“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.