SCHEMBL27239117

SCHEMBL27239117

CC1CC(C(=O)OOC(C)(C)C)CC(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37
CYP2C19 P33261 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP2B6 P20813 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.30
PPP1CA P62136 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
SCHEMBL225111 0.91 APLNR (0.35) APLNRCYP2C19ALDH1A1LMNACYP3A4
SCHEMBL225096 0.88 APLNR (0.46) APLNRCYP2C19ALDH1A1LMNACYP3A4
SCHEMBL29726996 0.83 APLNR (0.39) APLNRCYP2C19ALDH1A1LMNACYP3A4
SCHEMBL16344207 0.78 APLNR (0.30) APLNR
SCHEMBL3778963 0.75 APLNR (0.48) APLNRCYP2C19ALDH1A1LMNACYP3A4
SCHEMBL5883941 0.71 APLNR (0.67) APLNRCYP2C19ALDH1A1LMNACYP3A4
SCHEMBL28297608 0.71 APLNR (0.37) APLNRCYP2C19ALDH1A1LMNACYP3A4
SCHEMBL383633 0.70 TSHR (0.36) ALDH1A1TDP1HTT
SCHEMBL317158 0.70 TSHR (0.36) ALDH1A1TDP1HTT
SCHEMBL3129361 0.70 APLNR (0.46) APLNRCYP2C19ALDH1A1LMNACYP3A4

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-12622985-B2 Sterilization method for medical rubber part SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2026-05-12 US disclosed
US-20240189463-A1 STERILIZATION METHOD FOR MEDICAL RUBBER PART SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2024-06-13 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 (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-12622985-B2 Sterilization method for medical rubber part TMEM97, SEC61A1, SQLE APLNR 4453/4885CYP2C19 8/4885ALDH1A1 1005/4885

“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.