SCHEMBL3484582

SCHEMBL3484582

CCCCCCCOc1ccccc1C=CC(CCc1ccc(C#N)cc1)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
TP53 P04637 2/20 0.41
CTSG P08311 5/20 0.41
CMA1 P23946 5/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PPARG P37231 2/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL3485093 1.00 HPGD (0.41) HPGDTP53CTSGCMA1KMT2A
SCHEMBL3484580 1.00 HPGD (0.41) HPGDTP53CTSGCMA1KMT2A
SCHEMBL3485098 1.00 HPGD (0.41) HPGDTP53CTSGCMA1KMT2A
SCHEMBL3484947 0.99 TP53 (0.42) HPGDTP53CTSGCMA1KMT2A
SCHEMBL3484944 0.99 TP53 (0.42) HPGDTP53CTSGCMA1KMT2A
SCHEMBL3484288 0.97 KMT2A (0.43) HPGDTP53CTSGCMA1KMT2A
SCHEMBL3484291 0.97 KMT2A (0.43) HPGDTP53CTSGCMA1KMT2A
SCHEMBL3484571 0.94 TP53 (0.43) HPGDTP53CTSGCMA1KMT2A
SCHEMBL3484576 0.94 TP53 (0.43) HPGDTP53CTSGCMA1KMT2A
SCHEMBL3485095 0.93 KMT2A (0.42) HPGDTP53CTSGCMA1KMT2A

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-8609727-B2 Dicarboxylic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-17 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 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-20100029772-A1 Dicarboxylic Acid Derivatives and their Use PC, SLC25A1, GOT2 HPGD 281/4885TP53 2351/4885CTSG 2480/4885

“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.