SCHEMBL9861579

SCHEMBL9861579

CC(C)c1cc(C(F)(F)F)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CFTR P13569 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
MAPT P10636 3/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL9861396 0.85 PDE2A (0.34) PDE2A
SCHEMBL5958755 0.85 PDE2A (0.34) PDE2A
SCHEMBL10103694 0.84 PDE2A (0.49) PDE2AALDH1A1KDM4EPKMHPGD
SCHEMBL7100711 0.82 SMN1; SMN2 (0.45) HSD17B10TSHRMAPK1LMNAMEN1
SCHEMBL30107708 0.82 RORC (0.46) ALDH1A1PKMHPGDHSD17B10TSHR
SCHEMBL7641269 0.82 RORC (0.46) ALDH1A1PKMHPGDHSD17B10TSHR
SCHEMBL10924898 0.81 L3MBTL1 (0.47) ALDH1A1HPGDMAPK1L3MBTL1MAPT
SCHEMBL12889906 0.81 PDE2A (0.53) PDE2AALDH1A1HTR2AHTR2CHTR2B
SCHEMBL11373061 0.78 MAPT (0.41) PDE2AALDH1A1KDM4EPKMHPGD
SCHEMBL11002142 0.78 L3MBTL1 (0.47) PKMHSD17B10TSHRMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 US disclosed
US-5008425-A Trifluoromethylation of carbonyl compounds ETHYL CORPORATION (US) 1991-04-16 US disclosed
EP-0336371-A2 Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-11 EP disclosed
US-4871877-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-03 US disclosed
US-4845258-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-07-04 US disclosed
US-4804774-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804772-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804773-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 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-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 PDE2A 1495/4885ALDH1A1 136/4885KDM4E 4057/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS PDE2A 3232/4885ALDH1A1 2917/4885KDM4E 3543/4885

“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.