SCHEMBL18806029

SCHEMBL18806029

C=C(C)C(=O)Oc1ccc2cc(C(OC(=O)C(=C)C)C(C)(C)O)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.39
▸ AKR1C3 P42330 7/20 0.36
▸ AKR1C2 P52895 7/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTGS2 P35354 3/20 0.36
▸ PTGS1 P23219 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CDC42 P60953 1/20 0.36
▸ RAC1 P63000 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.34
▸ ALOX5 P09917 2/20 0.33

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
SCHEMBL18806041 0.95 ELANE (0.36) ELANEAKR1C3AKR1C2KMT2AATM
SCHEMBL20172068 0.90 AKR1C3 (0.39) ELANEAKR1C3AKR1C2KMT2AATM
SCHEMBL20172060 0.85 TDP1 (0.44) AKR1C3AKR1C2TDP1L3MBTL1PTGS2
SCHEMBL18806020 0.84 ELANE (0.43) ELANEKMT2AATML3MBTL1PTGS2
SCHEMBL20172059 0.83 AKR1C3 (0.32) AKR1C3AKR1C2TDP1L3MBTL1PTGS2
SCHEMBL18806039 0.81 ELANE (0.41) ELANEKMT2AATMTDP1PTGS2
SCHEMBL18806043 0.80 APP (0.44) ELANEAKR1C3AKR1C2KMT2APTGS2
SCHEMBL18806022 0.80 APP (0.41) ELANEAKR1C3AKR1C2KMT2APTGS2
SCHEMBL29405364 0.80 ELANE (0.41) ELANEAKR1C3AKR1C2KMT2AATM
SCHEMBL18806023 0.79 AKR1C3 (0.39) ELANEAKR1C3AKR1C2KMT2AATM

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-11312909-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2022-04-26 — — US disclosed
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS GMBH, MERCK PATENT (DE) 2017-05-04 — — US disclosed
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS GMBH, MERCK PATENT (DE) 2017-05-04 — — US disclosed
EP-3162875-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2017-05-03 — — 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-11312909-B2 Polymerizable compounds and the use thereof in liquid-crystal displays VCL, LCP1, MAP1LC3C ELANE 766/4885AKR1C3 4186/4885AKR1C2 4227/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C ELANE 719/4885AKR1C3 3918/4885AKR1C2 3967/4885

“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.

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