SCHEMBL29318756

SCHEMBL29318756

CC(C)C(=O)C(C)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
ALOX5 P09917 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PTGS2 P35354 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL4484070 0.91 CYP1A2 (0.52) CYP1A2ALOX5SMN1; SMN2CYP2D6TSHR
SCHEMBL9680733 0.85 PTGS2 (0.52) CYP1A2ALOX5SMN1; SMN2CYP2D6TSHR
SCHEMBL421564 0.80 PTGS2 (0.61) CYP1A2ALOX5SMN1; SMN2TSHRALDH1A1
SCHEMBL5149430 0.80 PTGS2 (0.61) CYP1A2ALOX5SMN1; SMN2TSHRALDH1A1
SCHEMBL12280124 0.80 CYP1A2 (0.55) CYP1A2ALOX5SMN1; SMN2CYP2D6TSHR
SCHEMBL24519245 0.80 ALOX5 (0.46) ALOX5SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL3860971 0.80 PTGS2 (0.61) CYP1A2ALOX5SMN1; SMN2TSHRALDH1A1
SCHEMBL2291864 0.78 CYP1A2 (0.48) CYP1A2ALOX5SMN1; SMN2CYP2D6TSHR
SCHEMBL3875094 0.78 EPHX1 (0.58) CYP1A2ALOX5SMN1; SMN2CYP2D6TSHR
SCHEMBL4493827 0.78 EPHX1 (0.58) CYP1A2ALOX5SMN1; SMN2CYP2D6TSHR

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 CYP1A2 4662/4885ALOX5 2753/4885SMN1; SMN2 2820/4885

“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.