Orthocresol

Orthocresol

SCHEMBL1900384

CCCC(=O)O.Cc1ccccc1O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR3 O14843 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ IAPP P10997 2/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MEN1 O00255 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
Orthocresol SCHEMBL4085176 0.89 CES2 (0.47) HDAC3HDAC1HDAC2HDAC8CES2
Catechol SCHEMBL28191561 0.88 HDAC3 (0.59) FFAR3HDAC3HDAC1HDAC2HDAC8
O-Xylene SCHEMBL10995385 0.88 HDAC3 (0.59) FFAR3HDAC3HDAC1HDAC2HDAC8
Hexanoate SCHEMBL8539398 0.87 AKR1B1 (0.55) CES2CES1AKR1B1ALDH1A1KMT2A
Orthocresol SCHEMBL11464146 0.86 AKR1B1 (0.48) FFAR3CES2CES1AKR1B1ALDH1A1
Orthocresol SCHEMBL28747710 0.81 TRPA1 (0.50) AKR1B1ALDH1A1SMN1; SMN2KMT2AHPGD
Orthocresol SCHEMBL6566573 0.81 TRPA1 (0.50) AKR1B1ALDH1A1SMN1; SMN2KMT2AHPGD
Orthocresol SCHEMBL27576819 0.81 TRPA1 (0.50) ALDH1A1SMN1; SMN2KMT2AHPGDL3MBTL1
Pyrogallol SCHEMBL19857036 0.80 IAPP (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
Orthocresol SCHEMBL2005162 0.80 AKR1B1 (0.47) HDAC1HDAC2AKR1B1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100415233-C Oral preparation WYETH CORP (US) 2008-09-03 — — CN claimed
EP-1945667-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF VIRAL INFECTION USING CAMELID HEAVY CHAIN ANTIBODIES Prendergast, Patrick T. (AU) 2008-07-23 — — EP claimed
WO-2007052242-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF VIRAL INFECTION USING CAMELID HEAVY CHAIN ANTIBODIES PRENDERGAST PATRICK T (AU) 2007-05-10 — — WO claimed
CN-1764459-A Oral formulations WYETH CORP (US) 2006-04-26 — — CN claimed
CN-1628773-A Botanical originated nim oil sperm killing formulation WU CHENGKUI (CN) 2005-06-22 — — CN claimed
EP-0434437-A2 Photohardenable or thermohardenable compositions and photosensitive materials utilising such photohardenable compositions THE MEAD CORPORATION (US) 1991-06-26 — — EP claimed
US-20230391942-A1 AQUEOUS BIO-BASED ENERGY CURABLE POLYURETHANE COMPOSITION ALLNEX BELGIUM S.A. (BE) 2023-12-07 — — US disclosed
EP-4263650-A1 AQUEOUS BIO-BASED ENERGY CURABLE POLYURETHANE COMPOSITION Allnex Belgium, S.A. (BE) 2023-10-25 — — EP disclosed
US-11560488-B2 Ultraviolet curable ink composition, method for manufacturing bezel pattern in display substrate by using same, and bezel pattern manufactured thereby LG CHEM, LTD. 2023-01-24 — — US disclosed
EP-3357943-B1 MODIFIED CONJUGATED DIENE-BASED POLYMER AND METHOD OF PREPARING THE SAME LG CHEMICAL LTD (KR) 2022-07-20 — — EP disclosed
WO-2022128462-A1 AQUEOUS BIO-BASED ENERGY CURABLE POLYURETHANE COMPOSITION ALLNEX BELGIUM, S.A. (BE) 2022-06-23 — — WO disclosed
EP-4015548-A1 AQUEOUS BIO-BASED ENERGY CURABLE POLYURETHANE COMPOSITION Allnex Belgium, S.A. (BE) 2022-06-22 — — EP disclosed
US-10906995-B2 Modifier and modified and conjugated diene-based polymer prepared using the same LG CHEM, LTD. 2021-02-02 — — US disclosed
EP-0434437-A2 Photohardenable or thermohardenable compositions and photosensitive materials utilising such photohardenable compositions THE MEAD CORPORATION (US) 1991-06-26 — — EP disclosed
EP-0356868-A2 A method of treating a tooth with adhesive dental cavity basing composition DENTSPLY INTERNATIONAL, INC. (US) 1990-03-07 — — EP disclosed
US-4115406-A 2-Alkyl-4-phenyl-dihydropyrans and processes for augmenting the organoleptic properties of foodstuffs and tobacco using one or more of said pyrans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-09-19 — — US disclosed
US-4071034-A 2-Alkyl-4-phenyl-dihydropyrans and processes for augmenting the organoleptic properties of tobacco using one or more of said pyrans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-01-31 — — US disclosed
US-4071535-A 2-Alkyl-4-phenyl-dihydropyrans and processes for augmenting the organoleptic properties of foodstuffs and tobacco using one or more of said pyrans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-01-31 — — US disclosed
US-4070491-A 2-Alkyl-4-phenyl-dihydropyrans and processes for augmenting the organoleptic properties of foodstuffs and tobacco using one or more of said pyrans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-01-24 — — US disclosed
US-4010286-A Flavoring with 4-methyl-1-oxaspiro[5.5]undecane INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-03-01 — — 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 (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-10906995-B2 Modifier and modified and conjugated diene-based polymer prepared using the same RIF1, FDFT1, CAD FFAR3 2973/4885HDAC3 2120/4885HDAC1 632/4885

“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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