SCHEMBL23908222

SCHEMBL23908222

Cc1ccc(-c2cc(C)c(-c3ccc(C)cc3)cc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
ACHE P22303 1/20 0.47
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
PTGS2 P35354 3/20 0.41
ADORA3 P0DMS8 2/20 0.40
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
PTGS1 P23219 1/20 0.39
MAOB P27338 1/20 0.39
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NR2F2 P24468 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL15929643 0.88 TDP1 (0.36) TDP1ACHELDHALDHBPTGS2
SCHEMBL15929640 0.88 ACHE (0.59) ACHELDHALDHBMEN1KMT2A
SCHEMBL21022113 0.86 PTGS2 (0.46) ACHELDHALDHBPTGS2PTGS1
SCHEMBL17277083 0.84 BCHE (0.39) TDP1ACHELDHALDHBPTGS2
SCHEMBL1046094 0.83 ESRRA (0.46) TDP1ACHEPTGS2ADORA3MEN1
SCHEMBL284409 0.83 ESR2 (0.47) TDP1ACHEPTGS2ADORA3MEN1
SCHEMBL17006477 0.81 ACHE (0.53) TDP1ACHEPTGS2ADORA3MEN1
SCHEMBL18722306 0.81 ESR2 (0.45) TDP1ACHEPTGS2ADORA3MEN1
SCHEMBL22111431 0.81 ESR2 (0.43) TDP1ACHEPTGS2ADORA3MEN1
SCHEMBL19618901 0.81 ESR2 (0.43) TDP1ACHEPTGS2ADORA3MEN1

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-20210319957-A1 NOVEL COMPOUND, AND COMPOSITION FOR FORMING HOLE TRANSPORTING LAYER FOR PEROVSKITE SOLAR CELLS Tokyo Chemical Industry Co., Ltd. (JP) 2021-10-14 US disclosed
US-20210319957-A1 NOVEL COMPOUND, AND COMPOSITION FOR FORMING HOLE TRANSPORTING LAYER FOR PEROVSKITE SOLAR CELLS Tokyo Chemical Industry Co., Ltd. (JP) 2021-10-14 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 (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-20210319957-A1 NOVEL COMPOUND, AND COMPOSITION FOR FORMING HOLE TRANSPORTING LAYER FOR PEROVSKITE SOLAR CELLS SLC43A1, SLC26A3, KCNT1 TDP1 4641/4885ACHE 4836/4885LDHA 2391/4885

“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.