SCHEMBL30148437

SCHEMBL30148437

CC12CCC(C1)C1CCC(O)C12O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
AR P10275 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 3/20 0.33
GPBAR1 Q8TDU6 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
SHBG P04278 2/20 0.33
SERPINA6 P08185 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSD11B1 P28845 1/20 0.32
CYP19A1 P11511 4/20 0.32

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
SCHEMBL22633740 0.67 ALDH1A1 (0.31) LMNA
SCHEMBL322133 0.63 ALDH1A1 (0.36) LMNA
SCHEMBL10243182 0.60
SCHEMBL14919575 0.60 CYP3A4 (0.35) CYP3A4
SCHEMBL22054349 0.60 CYP19A1 (0.32) ESR1ARESR2LMNAGPBAR1
SCHEMBL4452438 0.58
SCHEMBL4452444 0.58
SCHEMBL4452440 0.58
SCHEMBL4174623 0.58 APOBEC3A (0.30)
SCHEMBL19387503 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240358603-A1 One-Part Dental Adhesive Composition for Fixing Dental Composite Materials SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-10-31 US disclosed
US-12070514-B2 One-part dental adhesive composition for fixing dental composite materials SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-08-27 US disclosed
EP-4106710-A1 ASCORBIC ACID COMPONENT FOR USE IN A METHOD OF TREATING THE SURFACE OF A PREPARED TOOTH 3M Innovative Properties Company (US) 2022-12-28 EP 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-20240358603-A1 One-Part Dental Adhesive Composition for Fixing Dental Composite Materials CDH1, F12, ACTN1 ESR1 772/4885AR 2263/4885ESR2 3437/4885
US-12070514-B2 One-part dental adhesive composition for fixing dental composite materials CDH1, F12, ACTN1 ESR1 772/4885AR 2263/4885ESR2 3437/4885

“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.