SCHEMBL19602224

SCHEMBL19602224

Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)C(C)C(=O)O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ NLRP3 Q96P20 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ ALOX12 P18054 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 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
SCHEMBL6357275 0.88 EPHX2 (0.48) ALDH1A1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL8700410 0.86 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL6357782 0.84 NLRP3 (0.52) ALDH1A1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL6355171 0.83 SMN1; SMN2 (0.52) ALDH1A1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL6355594 0.81 PPARG (0.50) ALDH1A1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL8409841 0.81 SMN1; SMN2 (0.48) ALDH1A1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL6357278 0.80 EPHX2 (0.52) ALDH1A1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL6359228 0.79 PPARG (0.47) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
Efaproxiral SCHEMBL1649963 0.78 PPARA (0.54) ALDH1A1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL12998282 0.77 MEN1 (0.53) ALDH1A1KMT2ASMN1; SMN2MAPTRAB9A

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-20170326086-A1 USE OF HEMOGLOBIN EFFECTORS TO INCREASE THE BIOAVAILABILITY OF THERAPEUTIC GASES VIRGINIA COMMONWEALTH UNIVERSITY (US) 2017-11-16 — — 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-20170326086-A1 USE OF HEMOGLOBIN EFFECTORS TO INCREASE THE BIOAVAILABILITY OF THERAPEUTIC GASES HBG2, HBG1, HBB ALDH1A1 4291/4885KMT2A 3386/4885SMN1; SMN2 241/4885

“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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