SCHEMBL13052068

SCHEMBL13052068

CCOC(C)(C)C(=O)c1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.52
▸ ALDH1A1 P00352 5/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ERCC5 P28715 1/20 0.41

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
SCHEMBL11259732 0.80 ADRB2 (0.43) TSHRALDH1A1KMT2ARAB9AMEN1
SCHEMBL13052070 0.79 CDC25B (0.56) TSHRALDH1A1KMT2AGAAMEN1
SCHEMBL11251806 0.77 CES1 (0.46) TSHRALDH1A1KMT2AMEN1NPC1
SCHEMBL11071231 0.76 MEN1 (0.41) TSHRKMT2ARAB9AMEN1NPC1
SCHEMBL29535471 0.76 TSHR (0.80) TSHRALDH1A1KMT2ARAB9AGAA
SCHEMBL1569293 0.76 TSHR (0.80) TSHRALDH1A1KMT2ARAB9AGAA
SCHEMBL7949878 0.75 HPGD (0.47) ALDH1A1KMT2ASMN1; SMN2HSD17B10POLB
SCHEMBL27501881 0.74 TSHR (0.77) TSHRALDH1A1KMT2ARAB9AGAA
SCHEMBL18648101 0.74 ERCC5 (0.42) TSHRALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL29067261 0.74 ERCC5 (0.42) TSHRKMT2AGAASMN1; SMN2ADRB2

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-20180029970-A1 ACRYLIC ADHESIVE COMPOSITION FROM PROTECTED PHOTOCROSSLINKING AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2018-02-01 — — US disclosed
US-7838110-B2 Aziridine-functional photoactive crosslinking compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-11-23 — — US disclosed
US-20100137469-A1 AZIRIDINE-FUNCTIONAL PHOTOACTIVE CROSSLINKING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2010-06-03 — — 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-20180029970-A1 ACRYLIC ADHESIVE COMPOSITION FROM PROTECTED PHOTOCROSSLINKING AGENTS DCLRE1A, RAD51, COL2A1 TSHR 4641/4885ALDH1A1 316/4885KMT2A 503/4885
US-20100137469-A1 AZIRIDINE-FUNCTIONAL PHOTOACTIVE CROSSLINKING COMPOUNDS PTMA, PAM, AAAS TSHR 2228/4885ALDH1A1 300/4885KMT2A 746/4885

“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.

Send feedback