SCHEMBL18156790

SCHEMBL18156790

O=C1c2ccccc2-c2ccc3c(c21)-c1ccccc1C3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.55
CES1 P23141 3/20 0.47
BCHE P06276 2/20 0.47
MAPT P10636 6/20 0.43
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
THRB P10828 2/20 0.43
TDP2 O95551 2/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 2/20 0.43
CES2 O00748 1/20 0.43
APAF1 O14727 1/20 0.43
TERT O14746 1/20 0.43
PLIN1 O60240 1/20 0.43

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
SCHEMBL30403300 0.82 MAOA (0.56) MAOACES1BCHEMAPTALDH1A1
SCHEMBL769934 0.80 MAOA (0.71) MAOACES1BCHEMAPTALDH1A1
SCHEMBL17029061 0.78 MAOA (0.50) MAOACES1BCHEMAPTALDH1A1
Fluorene SCHEMBL28830024 0.78 MAOA (0.81) MAOACES1BCHEMAPTALDH1A1
Anthrone SCHEMBL8617645 0.78 MAOA (0.90) MAOACES1BCHEMAPTALDH1A1
SCHEMBL15119561 0.76 MAOA (0.48) MAOACES1BCHEMAPTALDH1A1
Anthraquinone SCHEMBL28529223 0.75 MAOA (0.85) MAOACES1BCHEMAPTALDH1A1
Anthraquinone SCHEMBL22026730 0.75 MAOA (0.95) MAOACES1BCHEMAPTALDH1A1
SCHEMBL18156798 0.74 MAOA (0.61) MAOACES1BCHEMAPTALDH1A1
SCHEMBL5403107 0.74 MAOA (0.61) MAOACES1BCHEMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2023-04-27 US disclosed
US-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2016-10-20 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 (2 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-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 MAOA 3085/4885CES1 4661/4885BCHE 4757/4885
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 MAOA 3085/4885CES1 4661/4885BCHE 4757/4885

“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.