SCHEMBL234455

SCHEMBL234455

C=CC(=O)OCCCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
THRB P10828 2/20 0.59
LMNA P02545 1/20 0.54
AKR1B10 O60218 3/20 0.52
AKR1B1 P15121 3/20 0.52
HCAR2 Q8TDS4 1/20 0.51
NAAA Q02083 2/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NPC1 O15118 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FFAR1 O14842 1/20 0.48

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
SCHEMBL342699 1.00 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRTHRBLMNA
SCHEMBL342569 1.00 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRTHRBLMNA
SCHEMBL233466 1.00 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRTHRBLMNA
SCHEMBL4970634 1.00 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRTHRBLMNA
SCHEMBL147883 0.98 THRB (0.61) ALDH1A1CYP3A4TSHRTHRBLMNA
SCHEMBL146669 0.93 THRB (0.63) ALDH1A1CYP3A4TSHRTHRBLMNA
SCHEMBL29315898 0.91 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTHRBLMNA
SCHEMBL29315894 0.91 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTHRBLMNA
SCHEMBL27929355 0.90 THRB (0.59) ALDH1A1CYP3A4TSHRTHRBLMNA
SCHEMBL29315889 0.89 THRB (0.55) ALDH1A1CYP3A4TSHRTHRBLMNA

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 289 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240142665-A1 OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2024-05-02 US claimed
US-20240117092-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2024-04-11 US claimed
EP-4284787-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-12-06 EP claimed
EP-4263513-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-10-25 EP claimed
CN-116102283-B Super-temperature-resistant high MB-value-resistant adsorption type polycarboxylate superplasticizer and preparation method thereof 广西云鹰新材料科技有限公司 2023-08-08 CN claimed
CN-116102283-A Super-temperature-resistant high MB-value-resistant adsorption type polycarboxylate superplasticizer and preparation method thereof 广西云鹰新材料科技有限公司 2023-05-12 CN claimed
EP-4036085-A1 COMPOUNDS FOR OPTICALLY ACTIVE OPHTHALMIC DEVICES AMO Ireland (IE) 2022-08-03 EP claimed
EP-3728339-B1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS AMO Ireland (IE) 2022-07-06 EP claimed
WO-2022128832-A1 OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2022-06-23 WO claimed
EP-4015512-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2022-06-22 EP claimed
US-20090093603-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS ALCON, INC. (CH) 2009-04-09 US claimed
WO-2009046045-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS CONTAINING AN ALKYL ETHOXYLATE ALCON, INC. (CH) 2009-04-09 WO claimed
WO-2009046055-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS CONTAINING AN ALKYLPHENOL ETHOXYLATE ALCON, INC. (CH) 2009-04-09 WO claimed
US-20090093604-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS ALCON, INC. (CH) 2009-04-09 US claimed
WO-2009046235-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS ALCON, INC. (CH) 2009-04-09 WO claimed
WO-2009046232-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS ALCON, INC. (CH) 2009-04-09 WO claimed
WO-2009046243-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS ALCON, INC. (CH) 2009-04-09 WO claimed
US-20090088544-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS CONTAINING AN ALKYL ETHOXYLATE ALCON, INC. (CH) 2009-04-02 US claimed
US-20090088493-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS CONTAINING AN ALKYLPHENOL ETHOXYLATE ALCON, INC. (CH) 2009-04-02 US claimed
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20240117092-A1 OPTICALLY ACTIVE DEVICES PDE6C, UACA, PDE6A ALDH1A1 538/4885CYP3A4 3029/4885TSHR 4604/4885

“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.