SCHEMBL22486702

SCHEMBL22486702

CCC[n+]1ccn(-c2ccc(CC(C)C)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
LMNA P02545 2/20 0.31
CYP2C9 P11712 2/20 0.31
AKR1C3 P42330 2/20 0.31
CXCR1 P25024 2/20 0.31
CXCR2 P25025 2/20 0.31
ALB P02768 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL22485642 0.88 FAAH (0.33) FAAHGABRA1GABRB2PTGS1PTGS2
SCHEMBL22486718 0.85 FAAH (0.33) FAAHGABRA1GABRB2ALDH1A1PTGS1
SCHEMBL12639201 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1POLBGAA
Bromide SCHEMBL18203179 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1POLBGAA
SCHEMBL22485643 0.78 GABRA1 (0.35) FAAHGABRA1GABRB2PTGS1PTGS2
SCHEMBL5284684 0.78 MEN1 (0.43) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL22486704 0.77 FAAH (0.35) FAAHGABRA1GABRB2ALDH1A1PTGS1
Bromide SCHEMBL3409463 0.77 MEN1 (0.33) ALDH1A1KDM4EMEN1HPGDKMT2A
Bromide SCHEMBL3402591 0.77 KDM4E (0.40) KDM4EMEN1KMT2A
Bromide SCHEMBL3406156 0.77 KDM4E (0.40) ALDH1A1KDM4EMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308149-A1 FUSED AND CROSS-LINKABLE IONIC HOLE TRANSPORT MATERIALS FOR PEROVSKITE SOLAR CELLS ENERGY EVERYWHERE, INC. (US) 2020-10-01 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-20200308149-A1 FUSED AND CROSS-LINKABLE IONIC HOLE TRANSPORT MATERIALS FOR PEROVSKITE SOLAR CELLS SLC43A1, SLC7A5, SUN2 FAAH 3336/4885GABRA1 3874/4885GABRB2 3432/4885

“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.