SCHEMBL25826612

SCHEMBL25826612

CC(C)(C)CCCOCC(=O)CNc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.37
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
ESR1 P03372 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
PTPRB P23467 5/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPRA P18433 1/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL25826617 0.84 FFAR1 (0.35) FFAR1CA1CA2POLB
SCHEMBL25827939 0.82 ESR1 (0.40) ESR1THRATHRBRAB9AALDH1A1
SCHEMBL25826613 0.78 ESR1 (0.37) FFAR1ESR1THRATHRB
SCHEMBL25827946 0.70 HRH3 (0.43) ESR1THRATHRB
SCHEMBL25826622 0.69 ESR1 (0.38) FFAR1CA1CA2ESR1THRA
SCHEMBL15242395 0.68 ALDH1A1 (0.43) CA1CA2HPGDNPC1RAB9A
SCHEMBL25826615 0.68 SMN1; SMN2 (0.38) FFAR1PTPN1
SCHEMBL15183846 0.64 HRH3 (0.33) ALDH1A1
SCHEMBL13668105 0.64 SMN1; SMN2 (0.56) ESR1THRATHRBHPGDNPC1
SCHEMBL25827940 0.63 CES2 (0.55)

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-20240207412-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 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 (2 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-20240207412-A1 DIELS-ALDER CONJUGATION METHODS GLUL, TGM2, GLS FFAR1 3820/4885CA1 1359/4885CA2 2515/4885
US-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS FFAR1 3820/4885CA1 1359/4885CA2 2515/4885

“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.