SCHEMBL21777461

SCHEMBL21777461

CC(=O)OCc1cc(F)cc(Br)c1CC=C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ABCB1 P08183 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMPD1 P17405 2/20 0.35
ALOX5 P09917 3/20 0.34
MAPT P10636 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
PDPK1 O15530 1/20 0.34
TTR P02766 1/20 0.34

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
SCHEMBL21777431 0.80 PPARG (0.36) MEN1KMT2AABCB1CYP1A2CYP3A4
SCHEMBL1394359 0.79 CA2 (0.46) MEN1KMT2ACYP3A4CA2KDM4E
SCHEMBL21777785 0.79 PPARG (0.41) MEN1KMT2AABCB1CYP1A2CYP3A4
SCHEMBL21777279 0.76 ERN1 (0.39) MEN1KMT2AABCB1CYP1A2CYP3A4
SCHEMBL21777237 0.74 GSTP1 (0.32) CYP3A4CA2KDM4EALDH1A1HSD17B10
SCHEMBL18778750 0.74 CA2 (0.41) MEN1KMT2ACYP3A4MAPTCA2
SCHEMBL14448981 0.72 ALDH1A1 (0.41) KMT2ACYP3A4HPGDHTTSMN1; SMN2
SCHEMBL30881188 0.72 ALDH1A1 (0.41) KMT2ACYP3A4HPGDHTTSMN1; SMN2
SCHEMBL13034093 0.68 RIPK1 (0.46) CYP3A4KDM4EALDH1A1HSD17B10CYP4F2
SCHEMBL25840103 0.66 MMP1 (0.49) MEN1KMT2ACYP3A4CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3843728-B1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC INC (US) 2025-04-30 EP disclosed
US-20230219949-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
US-20230219949-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
US-20230219949-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
EP-3843728-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN Morphic Therapeutic, Inc. (US) 2021-07-07 EP disclosed
WO-2020047207-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTICS, INC. (US) 2020-03-05 WO disclosed
WO-2020047207-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTICS, INC. (US) 2020-03-05 WO 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-20230219949-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV MEN1 3154/4885KMT2A 3926/4885ABCB1 1066/4885

“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.