SCHEMBL29318769

SCHEMBL29318769

CC(C)C(=O)CCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
KCNJ1 P48048 4/20 0.47
KCNH2 Q12809 5/20 0.46
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL8008660 0.90 TSHR (0.56) TSHRALDH1A1MAPTLMNAKDM4E
SCHEMBL8934569 0.82 TSHR (0.58) TSHRALDH1A1MAPTKCNJ1KCNH2
SCHEMBL25600452 0.82 ALDH1A1 (0.46) ALDH1A1LMNAKMT2ACYP2C19HPGD
SCHEMBL9911541 0.82 KMT2A (0.55) TSHRALDH1A1MAPTLMNAKMT2A
SCHEMBL10434033 0.81 ALDH1A1 (0.56) TSHRALDH1A1MAPTLMNAKDM4E
SCHEMBL135651 0.80 TSHR (0.59) TSHRALDH1A1MAPTKCNJ1KCNH2
SCHEMBL2850348 0.80 TSHR (0.59) TSHRALDH1A1MAPTLMNAKCNJ1
SCHEMBL5030925 0.79 TSHR (0.58) TSHRALDH1A1MAPTKCNJ1KCNH2
SCHEMBL7733298 0.79 TSHR (0.58) TSHRALDH1A1MAPTKCNJ1KCNH2
Hydrochloric Acid SCHEMBL5030930 0.79 TSHR (0.58) TSHRALDH1A1MAPTKCNJ1KCNH2

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 1 patent. 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

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 TSHR 4225/4885ALDH1A1 2246/4885MAPT 3208/4885

“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.