SCHEMBL29906119

SCHEMBL29906119

COc1ccccc1C(=O)OC1CC(C)CCC1C(C)C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
HPGD P15428 3/20 0.72
ACLY P53396 1/20 0.52
NPSR1 Q6W5P4 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP19A1 P11511 2/20 0.49
MAPT P10636 3/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.47
MAPK1 P28482 3/20 0.47
GAA P10253 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
P2RX4 Q99571 1/20 0.46
EPHX1 P07099 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL21547326 1.00 ALDH1A1 (0.72) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL15570727 0.91 ALDH1A1 (0.69) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL4408464 0.90 ALDH1A1 (0.72) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL2907147 0.90 ALDH1A1 (0.72) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL28473708 0.90 ALDH1A1 (0.83) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL15570725 0.90 ALDH1A1 (0.65) ALDH1A1HPGDACLYNPSR1KDM4E
Methacrylic Acid SCHEMBL31685164 0.86 ALDH1A1 (0.55) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL21530852 0.85 ALDH1A1 (0.65) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL21530854 0.85 ALDH1A1 (0.65) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL29410039 0.85 ALDH1A1 (0.65) ALDH1A1HPGDACLYNPSR1KDM4E

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-20250120991-A1 TOPICAL ANALGESIC CONCEPT MATRIX SOLUTIONS (US) 2025-04-17 US disclosed
US-12171774-B2 Topical analgesic CONCEPT MATRIX SOLUTIONS (US) 2024-12-24 US disclosed
US-20220378812-A1 TOPICAL ANALGESIC CONCEPT MATRIX SOLUTIONS (US) 2022-12-01 US disclosed
US-11439654-B2 Topical analgesic CONCEPT MATRIX SOLUTIONS 2022-09-13 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 (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-11439654-B2 Topical analgesic TRPV1, CNR2, FAAH ALDH1A1 1140/4885HPGD 109/4885ACLY 3427/4885
US-20220378812-A1 TOPICAL ANALGESIC TRPV1, CNR2, FAAH ALDH1A1 1140/4885HPGD 109/4885ACLY 3427/4885
US-12171774-B2 Topical analgesic TRPV1, CNR2, FAAH ALDH1A1 1140/4885HPGD 109/4885ACLY 3427/4885
US-20250120991-A1 TOPICAL ANALGESIC TRPV1, CNR2, FAAH ALDH1A1 1140/4885HPGD 109/4885ACLY 3427/4885

“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.