SCHEMBL18115207

SCHEMBL18115207

CCCCCCN(CCCCCC)C(=O)c1ccc(NO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.51
▸ ERBB2 P04626 2/20 0.51
▸ CNR2 P34972 1/20 0.50
▸ HDAC1 Q13547 5/20 0.49
▸ HDAC6 Q9UBN7 5/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HDAC3 O15379 4/20 0.46
▸ HDAC2 Q92769 4/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ HDAC7 Q8WUI4 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC9 Q9UKV0 2/20 0.46
▸ HDAC5 Q9UQL6 2/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ MLYCD O95822 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ TSHR P16473 1/20 0.44

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
SCHEMBL14777030 0.94 EGFR (0.57) EGFRERBB2HDAC1HDAC6GAA
SCHEMBL10759435 0.88 EGFR (0.61) EGFRERBB2CNR2HDAC1HDAC6
SCHEMBL10758915 0.88 EGFR (0.61) EGFRERBB2CNR2HDAC1HDAC6
SCHEMBL10725111 0.88 EGFR (0.61) EGFRERBB2CNR2HDAC1HDAC6
SCHEMBL9645501 0.87 EGFR (0.63) EGFRERBB2CNR2HDAC1HDAC6
SCHEMBL6432436 0.84 L3MBTL1 (0.57) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL29713833 0.82 GAA (0.48) EGFRERBB2CNR2HDAC1HDAC6
SCHEMBL10767369 0.82 RARB (0.57) EGFRERBB2CNR2GAAHPGD
SCHEMBL10762716 0.82 RARB (0.57) EGFRERBB2CNR2GAAHPGD
SCHEMBL21708320 0.82 HSD17B3 (0.57) EGFRERBB2CNR2GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118653-A1 METHOD FOR PURIFICATION OF A AROMATIC DIACID OR THE CORRESPONDING ANHYDRIDES SABIC GLOBAL TECHNOLOGIES BV (NL) 2018-05-03 — — US disclosed
EP-3277655-A1 METHOD FOR PURIFICATION OF A AROMATIC DIACID OR THE CORRESPONDING ANHYDRIDES SABIC Global Technologies B.V. (NL) 2018-02-07 — — EP disclosed
WO-2016157018-A1 METHOD FOR PURIFICATION OF A AROMATIC DIACID OR THE CORRESPONDING ANHYDRIDES SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2016-10-06 — — WO 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-20180118653-A1 METHOD FOR PURIFICATION OF A AROMATIC DIACID OR THE CORRESPONDING ANHYDRIDES DDC, HPD, ACMSD EGFR 2403/4885ERBB2 1291/4885CNR2 1074/4885

“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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