SCHEMBL6975173

SCHEMBL6975173

C=C(C(=O)OC)C(O)CCCCC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.50
FFAR1 O14842 2/20 0.50
ZDHHC7 Q9NXF8 1/20 0.44
CA1 P00915 2/20 0.39
CA2 P00918 1/20 0.39
ABCB1 P08183 1/20 0.39
TSHR P16473 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NFKB1 P19838 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
SCHEMBL31152623 0.98 GPR84 (0.53) GPR84FFAR1ZDHHC7ABCB1TSHR
SCHEMBL27637191 0.98 GPR84 (0.53) GPR84FFAR1ZDHHC7ABCB1TSHR
SCHEMBL17760822 0.98 GPR84 (0.53) GPR84FFAR1ZDHHC7ABCB1TSHR
SCHEMBL2527545 0.88 ALDH1A1 (0.41) GPR84FFAR1ZDHHC7CA1CA2
SCHEMBL27704801 0.85 ALDH1A1 (0.35) GPR84FFAR1ZDHHC7
SCHEMBL27614024 0.84 GPR84 (0.36) GPR84FFAR1ZDHHC7
SCHEMBL28156113 0.84 GPR84 (0.36) GPR84FFAR1ZDHHC7
SCHEMBL28290657 0.84 GPR84 (0.36) GPR84FFAR1ZDHHC7
SCHEMBL3691540 0.84 GPR84 (0.36) GPR84FFAR1ZDHHC7
SCHEMBL503230 0.83 ALDH1A1 (0.37) GPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686503-B2 SPLITITNG FROM SOLID SUPPORT; METHYLATION ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-02-03 US disclosed
US-20010041345-A1 Methods for the synthesis of highly substituted 2,4-dioxopiperidine libraries CHAI WENYING (US) 2001-11-15 US disclosed
US-6288235-B1 MULTISTAGE REACTION WITH AMIDATION, CLEAVAGE FROM RESIN SUPPORT AND METHYLATION THEN CONDENSATION OF METHYL ESTER TO GIVE 2,4-DIOXOPIPERIDINE COMPOUNDS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-09-11 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-20010041345-A1 Methods for the synthesis of highly substituted 2,4-dioxopiperidine libraries DHPS, DRD4, DRD2 GPR84 2170/4885FFAR1 3248/4885ZDHHC7 126/4885

“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.