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
O-Xylene SCHEMBL10995385 0.88 HDAC3 (0.59) FFAR3HDAC3HDAC1HDAC2HDAC8
Catechol SCHEMBL28191561 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 SCHEMBL27576819 0.81 TRPA1 (0.50) ALDH1A1SMN1; SMN2KMT2AHPGDL3MBTL1
Orthocresol SCHEMBL6566573 0.81 TRPA1 (0.50) AKR1B1ALDH1A1SMN1; SMN2KMT2AHPGD
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.