SCHEMBL4333208

SCHEMBL4333208

C#CCn1cc(CC(OC(C)C)C(=O)OCC)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.42
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDC25A P30304 1/20 0.35

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
SCHEMBL4331689 0.85 CREBBP (0.43) CREBBPALOX5ALDH1A1MAPTKMT2A
SCHEMBL4334672 0.85 CREBBP (0.48) CREBBPALOX5ALDH1A1MAPTKMT2A
SCHEMBL4336487 0.85 ALDH1A1 (0.52) CREBBPALOX5ALDH1A1MAPTKMT2A
SCHEMBL31710851 0.73 MAPT (0.61) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL4340097 0.73 PPARG (0.45) CREBBPALDH1A1MAPTKDM4ETSHR
SCHEMBL4339994 0.72 CYP4F2 (0.50) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL6727371 0.71 CREBBP (0.45) CREBBPALDH1A1MAPTKDM4EMCL1
SCHEMBL6727386 0.71 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AKDM4EMCL1
SCHEMBL4333067 0.71 ADAM17 (0.45) ALDH1A1MAPTKMT2ARECQLMCL1
SCHEMBL4336953 0.70 ADAM17 (0.46) ALDH1A1MAPTKMT2AMEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522944-C Carboxylic acid derivatives and salts thereof EISAI CO LTD (JP) 2009-08-05 CN disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
CN-1503774-A Carboxylic acid derivatives and salts thereof ������������ʽ���� 2004-06-09 CN disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 CREBBP 1297/4885ALOX5 1280/4885ALDH1A1 844/4885

“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.