SCHEMBL5111329

SCHEMBL5111329

COc1cc(C(=O)O)ccc1CN1CCNC(=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 5/20 0.47
TSHR P16473 2/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL16533307 0.82 ALDH1A1 (0.50) POLBALDH1A1TSHRCA12CA1
SCHEMBL221544 0.80 KMT2A (0.60) POLBTDP1ALDH1A1TSHRCA12
Hydrochloric Acid SCHEMBL6174627 0.79 L3MBTL1 (0.62) POLBALDH1A1TSHRCA12CA1
SCHEMBL9357053 0.77 CHRM2 (0.71) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL221039 0.77 KCNJ1 (0.54) POLBALDH1A1CA12CA1CA2
SCHEMBL17835591 0.77 KDM4E (0.55) POLBTDP1ALDH1A1TSHRCA12
SCHEMBL3047472 0.76 SMN1; SMN2 (0.47) POLBTDP1ALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL4902833 0.76 KCNJ1 (0.53) ALDH1A1CA12CA1CA2CA4
SCHEMBL5103775 0.73 HDAC6 (0.52) POLBALDH1A1TSHRCA12CA1
SCHEMBL12966212 0.73 POLB (0.49) POLBTDP1ALDH1A1KDM4EMEN1

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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 POLB 1780/4885TDP1 1525/4885ALDH1A1 328/4885

“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.