SCHEMBL29318775

SCHEMBL29318775

CC(C)C(=O)CCCc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
EPHX1 P07099 2/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HDAC1 Q13547 1/20 0.41
HPGD P15428 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL28675816 0.89 FFAR1 (0.46) EPHX1POLBCTDSP1FFAR1FFAR4
SCHEMBL25600452 0.84 ALDH1A1 (0.46) HSD17B10HDAC1HPGDFFAR1TDP1
SCHEMBL22572494 0.84 PLAAT3 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4HSD17B10
SCHEMBL29318765 0.82 FAAH (0.47) EPHX1HSD17B10HPGD
SCHEMBL22572492 0.82 LMNA (0.49) HSD17B10HPGDFFAR1
SCHEMBL24354435 0.82 ALB (0.44) HSD17B10SIGMAR1HDAC1HPGDKMT2A
SCHEMBL23663021 0.82 MAOB (0.46) HSD17B10HDAC1HPGDKMT2A
SCHEMBL28775934 0.82 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL29318772 0.82 HDAC3 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL25946094 0.82 ALDH1A1 (0.48) EPHX1POLBHSD17B10HDAC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 US disclosed
US-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 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-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF FAP, FIBP, FGFR1 PLAAT3 128/4885PLAAT5 231/4885PLAAT2 187/4885

“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.