SCHEMBL2187349

SCHEMBL2187349

CCCCN(Cc1ccccc1)C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.56
HDAC1 Q13547 3/20 0.56
PKM P14618 2/20 0.56
LMNA P02545 1/20 0.54
CNR2 P34972 1/20 0.53
LTB4R2 Q9NPC1 3/20 0.53
LIMK1 P53667 1/20 0.53
LIMK2 P53671 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
HDAC3 O15379 2/20 0.52
HDAC2 Q92769 2/20 0.52
FOLH1 Q04609 1/20 0.52
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL2187595 0.95 CNR2 (0.59) HDAC6HDAC1PKMLMNACNR2
SCHEMBL28042133 0.93 CNR2 (0.61) HDAC6HDAC1PKMLMNACNR2
SCHEMBL13317644 0.91
SCHEMBL1753870 0.89 HDAC6 (0.58) HDAC6HDAC1PKMLMNACNR2
SCHEMBL3662061 0.89 LMNA (0.58) HDAC6HDAC1PKMLMNALIMK1
SCHEMBL11050378 0.86 HDAC6 (0.56) HDAC6HDAC1PKMLMNACNR2
SCHEMBL13262081 0.86 HDAC1 (0.51) HDAC6HDAC1CNR2LTB4R2HDAC3
SCHEMBL28884103 0.85 HDAC1 (0.74) HDAC6HDAC1PKMLTB4R2LIMK1
SCHEMBL7778139 0.85 FOLH1 (0.54) HDAC6HDAC1PKMLMNACNR2
SCHEMBL3928463 0.85 GRIN2D (0.55) HDAC6HDAC1PKMLMNACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190177707-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2019-06-13 US claimed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US claimed
EP-1129084-A2 PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2001-09-05 EP claimed
WO-2000027832-A2 THIAZOLE DERIVATIVES AS PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2000-05-18 WO claimed
US-12286653-B2 Carboxyesterase polypeptides for amide coupling CODEXIS, INC. (US) 2025-04-29 US disclosed
US-20210238565-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-08-05 US disclosed
US-11015180-B2 Carboxyesterase polypeptides for amide coupling CODEXIS, INC. (US) 2021-05-25 US disclosed
US-20190177707-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2019-06-13 US disclosed
CN-105001096-B A kind of method for preparing 4 amino N alkylbenzylamines 沈阳化工研究院有限公司 2017-07-21 CN disclosed
CN-105001096-A 4-amino-N-alkyl benzylamine preparation methood SHENYANG RES INST CHEMICAL IND 2015-10-28 CN disclosed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
EP-2342180-A2 ORGANIC COMPOUNDS SUITABLE FOR MODULATING FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2011-07-13 EP disclosed
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 WO disclosed
EP-1129084-A2 PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2001-09-05 EP disclosed
WO-2000027832-A2 THIAZOLE DERIVATIVES AS PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2000-05-18 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-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions CYP2A6, CYP2B6, CYP2A13 HDAC6 2147/4885HDAC1 553/4885PKM 3322/4885

“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.