SCHEMBL19407828

SCHEMBL19407828

CCC(C)c1ccccc1OC(=O)C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.53
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
HIF1A Q16665 1/20 0.42
ADRB2 P07550 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL18481784 0.85 ELANE (0.50) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL28203282 0.83 ELANE (0.59) ELANETSHR
SCHEMBL1790848 0.83 TSHR (0.53) TSHRALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL1791401 0.82 TSHR (0.52) ELANETSHRALDH1A1LMNAHIF1A
SCHEMBL5837459 0.81 TSHR (0.50) TSHRALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL6838437 0.81 TSHR (0.50) TSHRALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL22020868 0.81 ELANE (0.56) ELANELMNA
SCHEMBL23318138 0.79 TSHR (0.49) ELANETSHRALDH1A1LMNAKDM4E
SCHEMBL10529200 0.79 TSHR (0.49) TSHRALDH1A1LMNAKDM4EL3MBTL1
Fenobucarb SCHEMBL73674 0.78 ALDH1A1 (0.58) TSHRALDH1A1LMNAKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643657-B2 Chiral control WAVE LIFE SCIENCES LTD. (SG) 2023-05-09 US disclosed
US-20210130821-A1 CHIRAL CONTROL WAVE LIFE SCIENCES LTD. (SG) 2021-05-06 US disclosed
US-10590413-B2 Chiral control WAVE LIFE SCIENCES LTD. (SG) 2020-03-17 US disclosed
US-20170275621-A1 CHIRAL CONTROL WAVE LIFE SCIENCES USA, INC. 2017-09-28 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 (4 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-20210130821-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 ELANE 2181/4885TSHR 3259/4885ALDH1A1 2867/4885
US-20170275621-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 ELANE 2181/4885TSHR 3259/4885ALDH1A1 2867/4885
US-11643657-B2 Chiral control RNGTT, POLI, NSUN3 ELANE 2181/4885TSHR 3259/4885ALDH1A1 2867/4885
US-10590413-B2 Chiral control RNGTT, POLI, NSUN3 ELANE 2181/4885TSHR 3259/4885ALDH1A1 2867/4885

“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.