SCHEMBL5755502

SCHEMBL5755502

O=C(O)c1cccc2c1CCCCC2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 4/20 0.55
BCL2L1 Q07817 1/20 0.53
BAD Q92934 1/20 0.53
GFER P55789 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RXRA P19793 6/20 0.48
RXRB P28702 5/20 0.48
RXRG P48443 5/20 0.48
FABP4 P15090 2/20 0.46
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 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
SCHEMBL783869 0.98 CXCR5 (0.56) CXCR5BCL2L1BADGFERMEN1
SCHEMBL29493191 0.98 CXCR5 (0.56) CXCR5BCL2L1BADGFERMEN1
Hydrochloric Acid SCHEMBL2398251 0.96 CXCR5 (0.55) CXCR5BCL2L1BADGFERMEN1
SCHEMBL3613341 0.94 CXCR5 (0.53) CXCR5BCL2L1BADGFERMEN1
Adamantane SCHEMBL28516622 0.91 CXCR5 (0.49) CXCR5BCL2L1BADGFERMEN1
SCHEMBL11814300 0.86 BCL2L1 (0.55) CXCR5BCL2L1BADGFERMEN1
SCHEMBL11001708 0.85 HSP90AA1 (0.51) CXCR5BCL2L1BADGFERMEN1
SCHEMBL15330692 0.85 ALDH1A1 (0.50) CXCR5GFERALDH1A1ALOX15
SCHEMBL29950657 0.85 ALDH1A1 (0.50) CXCR5GFERALDH1A1ALOX15
SCHEMBL31493172 0.85 ALDH1A1 (0.50) CXCR5BCL2L1BADMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332898-B Preparation process of watermelon ketone compound 武汉瑞威尔化学科技有限公司 2023-11-14 CN disclosed
CN-116332898-A Preparation process of watermelon ketone compound 武汉瑞威尔化学科技有限公司 2023-06-27 CN disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP disclosed
US-4957914-A ANTIDEPRESSANTS, ANXIOLYTICS, HYPOTENSIVE AGENTS SYNTEX (U.S.A.) INC. (US) 1990-09-18 US 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP CXCR5 4765/4885BCL2L1 1662/4885BAD 3041/4885

“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.