SCHEMBL2868878

SCHEMBL2868878

[CH2]C(CCCCC)COC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
ZDHHC7 Q9NXF8 1/20 0.46
USP2 O75604 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FAAH O00519 2/20 0.40
PRKCA P17252 3/20 0.39
TSHR P16473 3/20 0.39
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
CA1 P00915 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 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
SCHEMBL8934337 0.80 ALDH1A1 (0.50) ALDH1A1ZDHHC7CYP3A4FAAHPRKCA
SCHEMBL6966711 0.79 TDP1 (0.46) ALDH1A1USP2CYP3A4MAPTHPGD
SCHEMBL30522611 0.78 PRSS1 (0.51) ALDH1A1ZDHHC7CYP3A4MAPTFAAH
SCHEMBL17676317 0.78 PRSS1 (0.51) ALDH1A1ZDHHC7CYP3A4MAPTFAAH
SCHEMBL19025418 0.78 PRSS1 (0.51) ALDH1A1ZDHHC7CYP3A4MAPTFAAH
SCHEMBL18723036 0.78 PRSS1 (0.51) ALDH1A1ZDHHC7CYP3A4MAPTFAAH
SCHEMBL4582699 0.78 PRSS1 (0.51) ALDH1A1ZDHHC7CYP3A4MAPTFAAH
SCHEMBL18856287 0.78 PRSS1 (0.51) ALDH1A1ZDHHC7CYP3A4MAPTFAAH
SCHEMBL19025446 0.78 PRSS1 (0.51) ALDH1A1ZDHHC7CYP3A4MAPTFAAH
SCHEMBL14525664 0.78 FAAH (0.49) ALDH1A1ZDHHC7MAPTFAAHPRKCA

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2543390-A1 Pharmaceutical composition Kyowa Hakko Kirin Co., Ltd. (JP) 2013-01-09 EP claimed
US-20100098690-A1 PHARMACEUTICAL COMPOSITION KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-04-22 US claimed
CN-101641117-A Pharmaceutical composition KYOWA HAKKO KOGYO KK JP 2010-02-03 CN claimed
EP-2133094-A1 PHARMACEUTICAL COMPOSITION Kyowa Hakko Kirin Co., Ltd. (JP) 2009-12-16 EP claimed
US-20090042883-A1 ANTITUMOR AGENT KYOWA HAKKOKOGYO CO. (JP) 2009-02-12 US claimed
CN-101123954-A Antitumor agent KYOWA HAKKO KOGYO KK (JP) 2008-02-13 CN claimed
EP-1852112-A1 ANTI-TUMOR AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-11-07 EP claimed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US claimed
CN-1791568-A Hsp90 family protein inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-06-21 CN claimed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 EP claimed
EP-2543390-A1 Pharmaceutical composition Kyowa Hakko Kirin Co., Ltd. (JP) 2013-01-09 EP disclosed
CN-101641117-B Pharmaceutical composition KYOWA HAKKO KIRIN CO LTD 2012-06-13 CN disclosed
CN-101123954-B ANTITUMOR AGENT KYOWA HAKKO KOGYO KK 2011-07-13 CN disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20100104567-A1 PHARMACEUTICAL COMPOSITION KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-04-29 US disclosed
CN-101123954-A Antitumor agent KYOWA HAKKO KOGYO KK (JP) 2008-02-13 CN disclosed
EP-1852112-A1 ANTI-TUMOR AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-11-07 EP disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
CN-1791568-A Hsp90 family protein inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-06-21 CN disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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 (4 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 2940/4885ZDHHC7 1528/4885USP2 1864/4885
US-20090042883-A1 ANTITUMOR AGENT MCL1, HDAC7, TP53 ALDH1A1 780/4885ZDHHC7 971/4885USP2 3970/4885
US-20100104567-A1 PHARMACEUTICAL COMPOSITION FLT4, FLT3, FLT1 ALDH1A1 2291/4885ZDHHC7 4561/4885USP2 4147/4885
US-20100098690-A1 PHARMACEUTICAL COMPOSITION HSP90B1, HSP90AB1, HSP90AB2P ALDH1A1 2884/4885ZDHHC7 2316/4885USP2 2205/4885

“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.