SCHEMBL22316289

SCHEMBL22316289

Cc1cc(C(c2ccc(O)c(-c3ccccc3O)c2)c2ccc(O)c(-c3ccccc3O)c2)c(C)cc1C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ PTPN5 P54829 3/20 0.32
▸ PTPN2 P17706 1/20 0.32
▸ NUDT1 P36639 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ PTGS2 P35354 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ CHRM1 P11229 1/20 0.30
▸ HPGD P15428 2/20 0.30
▸ HSD17B10 Q99714 2/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL22316268 0.81 ESR1 (0.36) MEN1KMT2AKDM4EMAPTPTPN5
Ethane SCHEMBL28833111 0.80 TDP1 (0.42) TDP1LMNAMEN1KMT2AKDM4E
SCHEMBL22316288 0.76 ACMSD (0.41) TDP1LMNAMEN1KMT2AKDM4E
SCHEMBL7804680 0.75 PTGS2 (0.38) TDP1LMNAMEN1KMT2AKDM4E
SCHEMBL29375864 0.74 NUDT1 (0.46) MEN1KMT2ANUDT1BACE1HSP90AA1
SCHEMBL761684 0.74 NUDT1 (0.46) MEN1KMT2ANUDT1BACE1HSP90AA1
SCHEMBL30899209 0.74 NUDT1 (0.46) MEN1KMT2ANUDT1BACE1HSP90AA1
SCHEMBL22316987 0.73 TDP1 (0.42) TDP1LMNAMEN1KMT2AKDM4E
Orthocresol SCHEMBL15512397 0.73 MEN1 (0.37) TDP1LMNAMEN1KMT2AKDM4E
SCHEMBL759679 0.73 HSD17B10 (0.39) TDP1LMNAMEN1KMT2AKDM4E

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-20200247739-A1 COMPOUND, RESIN, COMPOSITION, PATTERN FORMATION METHOD, AND PURIFICATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-08-06 — — 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-20200247739-A1 COMPOUND, RESIN, COMPOSITION, PATTERN FORMATION METHOD, AND PURIFICATION METHOD CROCC, RDX, RBBP9 TDP1 3169/4885LMNA 1730/4885MEN1 3681/4885

“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.

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