SCHEMBL4331689

SCHEMBL4331689

CCOC(=O)C(Cc1cn(COC)c2ccccc12)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.41
MCL1 Q07820 1/20 0.39
ALOX5 P09917 1/20 0.39
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR4A2 P43354 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CDC25A P30304 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
SCHEMBL4336487 0.87 ALDH1A1 (0.52) CREBBPALDH1A1MAPTRECQLLMNA
SCHEMBL4334672 0.87 CREBBP (0.48) CREBBPALDH1A1MAPTRECQLLMNA
SCHEMBL4333208 0.85 CREBBP (0.42) CREBBPALDH1A1MAPTRECQLLMNA
SCHEMBL4340097 0.75 PPARG (0.45) CREBBPALDH1A1MAPTTSHR
SCHEMBL4339994 0.74 CYP4F2 (0.50) ALDH1A1LMNAKMT2AL3MBTL1TSHR
SCHEMBL13819394 0.73 CHRM1 (0.56) LMNAKMT2APOLBSMN1; SMN2HDAC10
SCHEMBL6727371 0.72 CREBBP (0.45) CREBBPALDH1A1MAPTLMNAMCL1
SCHEMBL6727386 0.72 ALDH1A1 (0.48) ALDH1A1MAPTLMNAMCL1KMT2A
SCHEMBL13819345 0.72 KMT2A (0.53) ALDH1A1MAPTLMNAKMT2AHDAC10
SCHEMBL4341251 0.72 PKM (0.60) ALDH1A1MAPTRECQLLMNAKMT2A

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 1297/4885ALDH1A1 844/4885MAPT 4654/4885

“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.