SCHEMBL6092092

SCHEMBL6092092

O=C(C=CC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 1/20 0.42
P2RX7 Q99572 1/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL18317449 0.84 RAB9A (0.45) NPC1P2RX7ALDH1A1MAPTSMN1; SMN2
SCHEMBL6090897 0.84 P2RX7 (0.46) CYP1A2CYP2C19NPC1P2RX7ALDH1A1
SCHEMBL6091141 0.84 FAAH (0.49) TNFRSF1ANPC1P2RX7ALDH1A1MAPT
SCHEMBL6092329 0.81 KMT2A (0.48) P2RX7ALDH1A1L3MBTL1SMN1; SMN2HTT
SCHEMBL6093069 0.81 ALDH1A1 (0.43) NPC1ALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL6093635 0.81 CNR2 (0.55) TNFRSF1ANPC1P2RX7ALDH1A1MAPT
SCHEMBL6093038 0.81 HDAC1 (0.41) NPC1P2RX7ALDH1A1L3MBTL1MAPT
SCHEMBL6090662 0.81 MAPT (0.48) NPC1ALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL3431570 0.76 GPR52 (0.42) ALDH1A1L3MBTL1MAPT
SCHEMBL5503638 0.75 STAT3 (0.52) NPC1ALDH1A1MAPTSMN1; SMN2MAOA

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-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US claimed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 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-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders PMP22, ADCYAP1R1, CYP11B2 TNFRSF1A 4570/4885CYP1A2 317/4885CYP2C19 710/4885

“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.