SCHEMBL21114152

SCHEMBL21114152

CC1(C)OB(c2ccccc2C#CCCCO)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ LPL P06858 3/20 0.33
▸ LIPG Q9Y5X9 3/20 0.33
▸ LMNA P02545 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PGK1 P00558 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31

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
SCHEMBL31570490 1.00 CYP3A4 (0.46) CYP3A4KDM4ECYP1A2MAPTCYP2C9
SCHEMBL24892594 0.83 KDM4E (0.34) CYP3A4KDM4ECYP1A2MAPTCYP2C9
SCHEMBL30211607 0.83 KDM4E (0.34) CYP3A4KDM4ECYP1A2MAPTCYP2C9
SCHEMBL29202433 0.83 KDM4E (0.34) CYP3A4KDM4ECYP1A2MAPTCYP2C9
SCHEMBL24892479 0.82 KDM4E (0.39) CYP3A4KDM4ECYP1A2MAPTCYP2C9
SCHEMBL21114127 0.79 KDM4E (0.36) CYP3A4KDM4ECYP1A2MAPTCYP2C9
SCHEMBL25434269 0.78 ALDH1A1 (0.35) CYP3A4KDM4ECYP1A2MAPTCYP2C9
SCHEMBL2180477 0.75 CYP3A4 (0.67) CYP3A4KDM4ECYP1A2MAPTCYP2C9
SCHEMBL24206970 0.74 LIPG (0.43) LPLLIPG
SCHEMBL28574968 0.74 LPL (0.40) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-04-20 — — US disclosed
WO-2023287793-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-01-19 — — WO disclosed
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 — — US disclosed
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 — — US disclosed
WO-2019136314-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-07-11 — — 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 (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-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS PCK1, SLC5A1, PFKFB1 CYP3A4 384/4885KDM4E 1568/4885CYP1A2 680/4885
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, SERPINB1 CYP3A4 2367/4885KDM4E 4784/4885CYP1A2 1918/4885

“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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