SCHEMBL6539277

SCHEMBL6539277

CCCCCOc1ccc(C(=O)N(C)OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ PLA2G4B P0C869 6/20 0.59
▸ THRA P10827 3/20 0.58
▸ THRB P10828 2/20 0.58
▸ RARB P10826 3/20 0.56
▸ PLA2G4A P47712 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL13221522 0.97 TSHR (0.55) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL15537810 0.89 THRA (0.59) TP53TSHRTHRATHRB
SCHEMBL7637707 0.86 TP53 (0.66) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL1984870 0.83 DRD2 (0.56) TP53THRATHRB
SCHEMBL10932269 0.82 ALDH1A1 (0.61) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL8477806 0.82 MCHR1 (0.57) —
SCHEMBL7140622 0.80 THRA (0.55) THRATHRBRARB
SCHEMBL15172203 0.79 TP53 (0.65) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL9504858 0.79 THRA (0.57) THRATHRBRARB
SCHEMBL17203727 0.79 TP53 (0.74) TP53TSHRPLA2G4BTHRATHRB

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-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 — — US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 — — 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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA TP53 3997/4885TSHR 2112/4885PLA2G4B 4443/4885

“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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