SCHEMBL19196345

SCHEMBL19196345

C/C(=C\c1cc2ccc(C)cc2oc1=O)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ GAA P10253 3/20 0.46
▸ CRHBP P24387 2/20 0.46
▸ CRHR2 Q13324 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.44
▸ HSD11B1 P28845 2/20 0.41
▸ MIF P14174 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAOB P27338 7/20 0.40
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 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
SCHEMBL17525291 0.82 MAOB (0.63) ALDH1A1GAALMNAMAPTHPGD
SCHEMBL19196312 0.79 MAPT (0.49) ALDH1A1GAACRHBPCRHR2LMNA
SCHEMBL19203494 0.74 MAPT (0.43) ALDH1A1GAALMNAMAPTHSD11B1
SCHEMBL12611517 0.74 ALDH1A1 (0.72) ALDH1A1LMNAHSD11B1MIFHPGD
SCHEMBL17037974 0.74 HSD11B1 (0.47) ALDH1A1GAAMAPTHSD11B1MIF
SCHEMBL5288407 0.72 ALDH1A1 (0.60) ALDH1A1GAAMAPTADORA3HSD11B1
SCHEMBL19196066 0.71 MAPT (0.53) ALDH1A1GAALMNAMAPTHSD11B1
SCHEMBL19196064 0.71 MIF (0.45) ALDH1A1GAALMNAMAPTMIF
SCHEMBL19196313 0.69 MAPT (0.58) ALDH1A1LMNAMAPTRAB9AKDM4E
SCHEMBL30629234 0.69 NPC1 (0.70) ALDH1A1MAPTMIFHPGDRAB9A

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-20170219599-A1 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS BAYLOR COLLEGE OF MEDICINE (US) 2017-08-03 — — 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-20170219599-A1 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS SQOR, TXN2, TXNRD1 ALDH1A1 533/4885GAA 1701/4885CRHBP 3727/4885

“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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