SCHEMBL21777801

SCHEMBL21777801

CC(C)[C@@H]1COc2cc(F)cc(Br)c2O1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RIPK1 Q13546 1/20 0.35
CSF1R P07333 1/20 0.31
P2RY6 Q15077 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
SCHEMBL21777803 1.00 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10RIPK1
SCHEMBL21777241 0.72 KDM4E (0.32) KDM4EALDH1A1HPGDHSD17B10RIPK1
SCHEMBL31432977 0.72 KDM4E (0.32) KDM4EALDH1A1HPGDHSD17B10RIPK1
SCHEMBL21777962 0.72 KDM4E (0.32) KDM4EALDH1A1HPGDHSD17B10RIPK1
SCHEMBL21777610 0.71 BRD4 (0.36) RIPK1
SCHEMBL21777611 0.71 BRD4 (0.36) RIPK1
SCHEMBL21787270 0.69 MTNR1A (0.39) KDM4EALDH1A1HPGDHSD17B10CSF1R
SCHEMBL21787275 0.69 MTNR1A (0.39) KDM4EALDH1A1HPGDHSD17B10CSF1R
SCHEMBL15039735 0.68 MEN1 (0.41) ALDH1A1HPGDRIPK1P2RY6
SCHEMBL28661159 0.65 PARP1 (0.32) KDM4EALDH1A1

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 KDM4E 3514/4885ALDH1A1 1534/4885HPGD 3107/4885

“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.