SCHEMBL6881765

SCHEMBL6881765

CC(=O)Oc1ccc(C#C[Si](C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46
ELANE P08246 1/20 0.44
HSD17B10 Q99714 1/20 0.43
GAA P10253 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 2/20 0.41
TTR P02766 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 2/20 0.40
TSHR P16473 2/20 0.40
GLA P06280 2/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL29624582 0.85 CA12 (0.49) LMNAMAPTPOLBHSD17B10GAA
SCHEMBL16327448 0.85 LMNA (0.61) LMNAMAPTPOLBPKMELANE
SCHEMBL13864994 0.83 KDM4E (0.41) LMNAMAPTPOLBPKMGAA
SCHEMBL18371643 0.82 CYP19A1 (0.38) LMNAMAPTPOLBPKMELANE
SCHEMBL13721436 0.80 LMNA (0.51) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL20212072 0.79 LMNA (0.55) LMNAMAPTPOLBPKMELANE
SCHEMBL7523552 0.78 ELANE (0.61) LMNAMAPTPOLBPKMELANE
SCHEMBL8049735 0.77 ALDH1A1 (0.43) LMNAMAPTPKMALDH1A1KDM4E
SCHEMBL3846192 0.77 GRM5 (0.39) ALDH1A1MEN1KMT2ACYP3A4TSHR
SCHEMBL6949563 0.76 FFAR1 (0.65) LMNAMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024025604-A2 DEVELOPMENT OF AN ENZYME-INHIBITOR REACTION USING CELLULAR RETINOIC ACID BINDING PROTEIN II FOR ONE-POT MEGAMOLECULE ASSEMBLY NORTHWESTERN UNIVERSITY (US) 2024-02-01 WO disclosed
US-6818666-B2 FOR EXAMPLE, METHYL 4-(5,5,8,8,-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2 -NAPHTHYLSULPHANYLETHYNYL)BENZOATE; USE IN HUMAN OR VETERINARY MEDICINE OR COSMETIC COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2004-11-16 US disclosed
US-20030100583-A1 Bi-aromatic compounds linked via a heteroethylene radical, and pharmaceutical and cosmetic compositions using them GALDERMA RESEARCH & DEVELOPMENT 2003-05-29 US disclosed
US-6441010-B2 USEFUL AS COSMETIC FOR HAIR AND BODY HYGIENE, AND FOR TREATMENT OF DERMATOLOGICAL COMPLAINTS, WITH AN INFLAMMATORY AND/OR IMMUNOALLERGIC COMPONENT OF RHEUMATIC OR RESPIRATORY TYPE, CARDIVASCULAR AND OPTHALMOGICAL DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-08-27 US disclosed
US-20010056105-A1 Bi-aromatic compounds linked via a heteroethynylene radical, and pharmaceutical and cosmetic compositions containing them GALDERAMA RESEARCH & DEVELOPMENT. 2001-12-27 US disclosed
US-6201019-B1 ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION GALDERMA RESEARCH & DEVELOPMENT (FR) 2001-03-13 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 (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-20010056105-A1 Bi-aromatic compounds linked via a heteroethynylene radical, and pharmaceutical and cosmetic compositions containing them TYR, KRT18, SCO2 LMNA 966/4885MAPT 3343/4885POLB 1882/4885
US-20030100583-A1 Bi-aromatic compounds linked via a heteroethylene radical, and pharmaceutical and cosmetic compositions using them TYR, AHR, CYP2C19 LMNA 1784/4885MAPT 1280/4885POLB 591/4885

“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.