SCHEMBL3307955

SCHEMBL3307955

c1cc2cc(C3CCCCC3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
EPHX1 P07099 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
HTR1D P28221 2/20 0.46
BACE1 P56817 1/20 0.45
AHR P35869 4/20 0.44
NR4A2 P43354 2/20 0.44
CYP2A6 P11509 2/20 0.44
F7 P08709 1/20 0.44
LTA4H P09960 1/20 0.44
F3 P13726 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
RAD51 Q06609 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
KCNH2 Q12809 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
SCHEMBL8995188 0.98 AHR (0.46) NPC1EPHX1MAPTRAB9AHTR1D
SCHEMBL18000304 0.91 AHR (0.48) NPC1EPHX1MAPTRAB9AAHR
SCHEMBL22728599 0.84 ESR2 (0.40) NPC1EPHX1MAPTRAB9AHTR1D
SCHEMBL3956097 0.84 SLC6A2 (0.50) AHRNR4A2CYP2A6F7LTA4H
Hydrochloric Acid SCHEMBL28061431 0.83 SLC6A2 (0.49) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL4456373 0.83 ESR2 (0.44) NPC1MAPTRAB9AAHRNR4A2
SCHEMBL30461940 0.83 SLC6A2 (0.46) NPC1HTR1DAHRNR4A2CYP2A6
Ethoxycarbonyl Group SCHEMBL28291591 0.83 EPHX1 (0.39) NPC1EPHX1MAPTRAB9AHTR1D
SCHEMBL12455980 0.81 HTR3A (0.49) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL14571687 0.80 SLC6A4 (0.53) HTR1DCHRM1DRD2KCNH2SLC6A2

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
WO-2025099444-A1 N-Acetylserotonin (NAS) Analogues Beckley Psytech Limited (GB) 2025-05-15 WO disclosed
US-12150447-B2 Plant growth regulator UNIVERSITY OF WASHINGTON (US) 2024-11-26 US disclosed
US-20210235697-A1 PLANT GROWTH REGULATOR UNIVERSITY OF WASHINGTON (US) 2021-08-05 US disclosed
US-20210235697-A1 PLANT GROWTH REGULATOR UNIVERSITY OF WASHINGTON (US) 2021-08-05 US disclosed
US-9029345-B2 Selective inhibitors of translesion DNA replication CASE WESTERN RESERVE UNIVERSITY (US) 2015-05-12 US disclosed
US-20100111839-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION BERDIS ANTHONY J 2010-05-06 US disclosed
WO-2009145357-A1 IN 1-POSITION DURCH EINEN RING SUBSTITUIERTE BENZO [1, 4] DIAZEPINE ZUR VERWENDUNGS ALS ANTIDEPRESSIVA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-03 WO disclosed
WO-2008147454-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION CASE WESTERN RESERVE UNIVERSITY (US) 2008-12-04 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 (3 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-20100111839-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION RPA1, RPA3, PCNA NPC1 1593/4885EPHX1 3319/4885MAPT 4299/4885
US-20210235697-A1 PLANT GROWTH REGULATOR ING2, GHRHR, MYB NPC1 4010/4885EPHX1 4250/4885MAPT 4124/4885
US-12150447-B2 Plant growth regulator ING2, GHRHR, MYB NPC1 4010/4885EPHX1 4250/4885MAPT 4124/4885

“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.