SCHEMBL12044522

SCHEMBL12044522

CCCCCCc1ccc(C(=O)C(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 10/20 0.61
▸ THRB P10828 10/20 0.61
▸ RARB P10826 5/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ RARA P10276 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ MTOR P42345 1/20 0.61
▸ PLA2G1B P04054 3/20 0.56
▸ ATG4B Q9Y4P1 3/20 0.56

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
SCHEMBL9668006 1.00 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL19130413 1.00 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL9667265 1.00 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL9667123 1.00 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL9667141 1.00 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL195471 1.00 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL9667335 1.00 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL8903662 0.98 RARB (0.60) THRATHRBRARBMEN1KMT2A
SCHEMBL8902478 0.93 RARB (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL9449695 0.91 THRA (0.60) THRATHRBRARBMEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947271-B2 Antibacterial agents THE UNIVERSITY OF QUEENSLAND (AU) 2021-03-16 — — US disclosed
US-20170204138-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-20 — — US disclosed
US-20170204138-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-20 — — US disclosed
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives ALKERMES PHARMA IRELAND LTD (IE) 2017-07-13 — — US disclosed
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives ALKERMES PHARMA IRELAND LTD (IE) 2017-07-13 — — US disclosed
US-9585965-B2 Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives ALKERMES PHARMA IRELAND LIMITED (IE) 2017-03-07 — — US disclosed
US-9585965-B2 Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives ALKERMES PHARMA IRELAND LIMITED (IE) 2017-03-07 — — US disclosed
US-20150320875-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives ALKERMES PHARMA IRELAND LTD (IE) 2015-11-12 — — US disclosed
US-9072788-B2 Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives ALKERMES PHARMA IRELAND LIMITED (IE) 2015-07-07 — — US disclosed
US-20110319422-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES ALKERMES, INC. (US) 2011-12-29 — — 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 (5 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-20150320875-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives PHPT1, SI, CA6 THRA 3435/4885THRB 4329/4885RARB 4805/4885
US-20170204138-A1 ANTIBACTERIAL AGENTS VNN1, ASNS, AAAS THRA 582/4885THRB 1839/4885RARB 3728/4885
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives PHPT1, SI, CA6 THRA 3435/4885THRB 4329/4885RARB 4805/4885
US-10947271-B2 Antibacterial agents VNN1, ASNS, AAAS THRA 582/4885THRB 1839/4885RARB 3728/4885
US-20110319422-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES PHPT1, SI, CA6 THRA 3435/4885THRB 4329/4885RARB 4805/4885

“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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