SCHEMBL3419185

SCHEMBL3419185

C=C[C](OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ HCAR2 Q8TDS4 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ SLC6A2 P23975 2/20 0.48
▸ SLC6A3 Q01959 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TGM2 P21980 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 3/20 0.46
▸ IDO1 P14902 1/20 0.43
▸ AKR1B10 O60218 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 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
SCHEMBL6911171 0.83 TDP1 (0.53) ALDH1A1HCAR2TDP1CA12CA9
SCHEMBL18296891 0.81 ALDH1A1 (0.48) ALDH1A1HCAR2TDP1CA12CA9
SCHEMBL27854927 0.79 CA12 (0.55) ALDH1A1HCAR2TDP1CA12CA9
SCHEMBL28230354 0.79 HCAR2 (0.65) ALDH1A1HCAR2TDP1CA12CA9
SCHEMBL34054 0.79 HCAR2 (0.65) ALDH1A1HCAR2TDP1CA12CA9
Benzene SCHEMBL28307095 0.79 HCAR2 (0.65) ALDH1A1HCAR2TDP1CA12CA9
Ammonia Solution, Strong SCHEMBL11584311 0.78 HCAR2 (0.62) ALDH1A1HCAR2TDP1CA12CA9
Bromide SCHEMBL28618019 0.78 HCAR2 (0.62) ALDH1A1HCAR2TDP1CA12CA9
Bicarbonate SCHEMBL3955752 0.78 HCAR2 (0.62) ALDH1A1HCAR2TDP1CA12CA9
Methane SCHEMBL28851569 0.78 HCAR2 (0.62) ALDH1A1HCAR2TDP1CA12CA9

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-20100076199-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIDONE CARBOXYLIC ACIDS GE HEALTHCARE AS (NO) 2010-03-25 — — US claimed
US-20100076199-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIDONE CARBOXYLIC ACIDS GE HEALTHCARE AS (NO) 2010-03-25 — — 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-20100076199-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIDONE CARBOXYLIC ACIDS PNPO, PGD, PDXK ALDH1A1 1170/4885HCAR2 118/4885TDP1 2704/4885

“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.

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