SCHEMBL5421978

SCHEMBL5421978

O=C(OC(Cl)c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
TP53 P04637 1/20 0.57
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
LMNA P02545 5/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
F2 P00734 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL2037987 0.89 ESR1 (0.70) TSHRTP53ESR1ESR2LMNA
SCHEMBL2297964 0.89 ESR1 (0.60) TSHRTP53ESR1ESR2LMNA
SCHEMBL10499313 0.85 NPC1 (0.61) TSHRTP53NPC1RAB9APOLB
SCHEMBL28388652 0.85 MAPT (0.65) ESR1ESR2NPC1RAB9APOLB
SCHEMBL9481140 0.81 ESR1 (0.59) TSHRTP53ESR1ESR2LMNA
SCHEMBL9739234 0.81 TSHR (0.63) TSHRTP53ESR1ESR2LMNA
SCHEMBL11847134 0.81 TSHR (0.63) TSHRTP53ESR1ESR2LMNA
SCHEMBL1096587 0.81 CYP2D6 (0.44) TSHRESR1ESR2LMNAPOLB
SCHEMBL984298 0.81 CYP2D6 (0.44) TSHRESR1ESR2LMNAKMT2A
SCHEMBL27840777 0.81 CYP2D6 (0.44) TSHRESR1ESR2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705289-A1 PRODRUGS OF XANOMELINE, PRODRUGS OF TROSPIUM AND METHODS OF USE THEREOF Terran Biosciences Inc. (US) 2026-03-11 EP disclosed
WO-2024226691-A1 PRODRUGS OF XANOMELINE, PRODRUGS OF TROSPIUM AND METHODS OF USE THEREOF TERRAN BIOSCIENCES INC. (US) 2024-10-31 WO disclosed
CN-101786934-B Preparation method of aromatic formaldehyde UNIV JIANGXI NORMAL SCI & TECH 2012-10-10 CN disclosed
CN-101786934-A Preparation method of aromatic formaldehyde JIANGXI NORMAL UNIVERSITY OF S 2010-07-28 CN disclosed
US-20070082922-A1 Huperzine a prodrugs and uses thereof PAN BAI-CHUAN 2007-04-12 US disclosed
US-20070082922-A1 Huperzine a prodrugs and uses thereof PAN BAI-CHUAN 2007-04-12 US disclosed
US-20070082922-A1 Huperzine a prodrugs and uses thereof PAN BAI-CHUAN 2007-04-12 US disclosed
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 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-20070082922-A1 Huperzine a prodrugs and uses thereof APP, ACHE, PSEN1 TSHR 4464/4885TP53 2620/4885ESR1 2033/4885

“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.