SCHEMBL18124671

SCHEMBL18124671

CC(C)CC[C@H](CO)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.31
TRPA1 O75762 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
SCHEMBL27768104 1.00 TSHR (0.44) TSHRTDP1LMNAALDH1A1CA1
SCHEMBL671825 1.00 TSHR (0.44) TSHRTDP1LMNAALDH1A1CA1
Alcohol SCHEMBL26136441 0.95 TSHR (0.40) TSHRTDP1LMNAALDH1A1TRPA1
Acetic Acid SCHEMBL29257656 0.88 SLC1A3 (0.35) TSHRTDP1ALDH1A1CA1
SCHEMBL5479762 0.82 TSHR (0.33) TSHRLMNA
SCHEMBL15027382 0.80 TSHR (0.35) TSHRALDH1A1TRPA1
SCHEMBL17417051 0.80 TSHR (0.42) TSHRTDP1LMNAALDH1A1TRPA1
SCHEMBL890533 0.79
SCHEMBL18124636 0.78 TSHR (0.33) TSHRTDP1LMNATRPA1
SCHEMBL18124662 0.78 TSHR (0.33) TSHRTDP1LMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4504681-A1 METHOD FOR THE PREPARATION OF A VOLATILE MIXTURE OF ALKANES AND A COSMETIC COMPOSITION Biosynthis (FR) 2025-02-12 EP disclosed
EP-4496553-A1 COSMETIC COMPOSITION APPLICABLE TO THE SKIN AND BASED ON A VOLATILE MIXTURE OF ALKANES Biosynthis (FR) 2025-01-29 EP disclosed
WO-2023187226-A1 METHOD FOR THE PREPARATION OF A VOLATILE MIXTURE OF ALKANES AND A COSMETIC COMPOSITION BIOSYNTHIS (FR) 2023-10-05 WO disclosed
WO-2023166204-A1 COSMETIC COMPOSITION APPLICABLE TO THE SKIN AND BASED ON A VOLATILE MIXTURE OF ALKANES BIOSYNTHIS (FR) 2023-09-07 WO disclosed
WO-2023166198-A1 EYE MAKEUP COMPOSITION BASED ON A VOLATILE MIXTURE OF ALKANES BIOSYNTHIS (FR) 2023-09-07 WO disclosed
WO-2023166194-A1 LIPSTICK COMPOSITION BASED ON A VOLATILE MIXTURE OF ALKANES BIOSYNTHIS (FR) 2023-09-07 WO disclosed
US-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 US disclosed
US-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 US disclosed
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-03-16 US disclosed
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2016-10-06 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 (3 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-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TSHR 1106/4885TDP1 1216/4885LMNA 3552/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TSHR 1106/4885TDP1 1216/4885LMNA 3552/4885
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 TSHR 2756/4885TDP1 2809/4885LMNA 4121/4885

“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.