SCHEMBL67818

SCHEMBL67818

Cc1ccc2oc(=O)cc(C)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.64
KDM4E B2RXH2 10/20 0.64
HPGD P15428 9/20 0.64
HSD17B10 Q99714 5/20 0.64
MAOA P21397 1/20 0.57
AKR1B1 P15121 2/20 0.56
MCL1 Q07820 2/20 0.56
CYP3A4 P08684 1/20 0.56
THRB P10828 1/20 0.56
STS P08842 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP1A1 P04798 1/20 0.54
CYP1B1 Q16678 1/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PRKDC P78527 1/20 0.54
GAA P10253 4/20 0.53
CA12 O43570 2/20 0.53
GLA P06280 2/20 0.53
CASP1 P29466 2/20 0.53

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
SCHEMBL30636721 1.00 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10MAOA
SCHEMBL724134 0.84 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10MAOA
SCHEMBL27523022 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10MAOA
Hydrochloric Acid SCHEMBL30117164 0.82 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10MAOA
SCHEMBL11828153 0.82 NQO1 (0.58) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL2490464 0.81 PIM1 (0.64) ALDH1A1KDM4EHPGDHSD17B10AKR1B1
SCHEMBL5456535 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL31290722 0.81 PIM1 (0.64) ALDH1A1KDM4EHPGDHSD17B10AKR1B1
SCHEMBL31506370 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL128001 0.81 KDM4E (0.74) ALDH1A1KDM4EHPGDHSD17B10MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024253-A Preparation method of medicinal thymol specific impurity 江西阿尔法高科药业有限公司 2023-11-10 CN claimed
US-9127092-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2015-09-08 US claimed
US-20140187725-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2014-07-03 US claimed
CN-117024253-A Preparation method of medicinal thymol specific impurity 江西阿尔法高科药业有限公司 2023-11-10 CN disclosed
US-20210135115-A1 PHOTOCROSSLINKABLE POLYMER, INSULATING FILM, PLANARIZATION FILM, LYOPHILIC/LIQUID REPELLENT PATTERNED FILM, AND ORGANIC FIELD EFFECT TRANSISTOR DEVICE COMPRISING SAME TOSOH CORPORATION (JP) 2021-05-06 US disclosed
US-20190055283-A1 AZA-PEPTIDE ALDEHYDES AND KETONES OHIO STATE INNOVATION FOUNDATION 2019-02-21 US disclosed
US-9212187-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-15 US disclosed
US-9212187-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-15 US disclosed
US-9127092-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2015-09-08 US disclosed
CN-103554074-B Preparation method of 3-trifluoromethyl coumarin derivative UNIV SOOCHOW 2015-03-25 CN disclosed
US-20140343277-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARCACEUTICAL CO LTD (JP) 2014-11-20 US disclosed
US-7615332-B2 Photosensitive compound, photosensitive composition, resist pattern forming method, and device production process CANON KABUSHIKI KAISHA (JP) 2009-11-10 US disclosed
US-20090233232-A1 PHOTOSENSITIVE COMPOUND, PHOTOSENSITIVE COMPOSITION, RESIST PATTERN FORMING METHOD, AND DEVICE PRODUCTION PROCESS CANON KABUSHIKI KAISHA (JP) 2009-09-17 US disclosed
CN-101497632-A Method for synthesizing coumarin-3-phosphonate derivative UNIV SOOCHOW (CN) 2009-08-05 CN disclosed
EP-1956430-A1 Photosensitive compound, photosensitive composition, resist pattern forming method, and device production process Canon Kabushiki Kaisha (JP) 2008-08-13 EP disclosed
US-20080187864-A1 PHOTOSENSITIVE COMPOUND, PHOTOSENSITIVE COMPOSITION, RESIST PATTERN FORMING METHOD, AND DEVICE PRODUCTION PROCESS CANON KABUSHIKI KAISHA (JP) 2008-08-07 US disclosed
US-7220467-B2 Photo-alignment material and liquid crystal display device and its manufacturing method using the same LG.PHILLIPS LCD CO., LTD. (KR) 2007-05-22 US disclosed
US-7220467-B2 Photo-alignment material and liquid crystal display device and its manufacturing method using the same LG.PHILLIPS LCD CO., LTD. (KR) 2007-05-22 US disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 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 (4 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-20140343277-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 ALDH1A1 3259/4885KDM4E 1288/4885HPGD 1987/4885
US-20090233232-A1 PHOTOSENSITIVE COMPOUND, PHOTOSENSITIVE COMPOSITION, RESIST PATTERN FORMING METHOD, AND DEVICE PRODUCTION PROCESS FRG1, PAH, RER1 ALDH1A1 1256/4885KDM4E 2439/4885HPGD 2184/4885
US-20080187864-A1 PHOTOSENSITIVE COMPOUND, PHOTOSENSITIVE COMPOSITION, RESIST PATTERN FORMING METHOD, AND DEVICE PRODUCTION PROCESS FRG1, PAH, RER1 ALDH1A1 1256/4885KDM4E 2439/4885HPGD 2184/4885
US-20190055283-A1 AZA-PEPTIDE ALDEHYDES AND KETONES VIP, DNPEP, PEPD ALDH1A1 153/4885KDM4E 591/4885HPGD 434/4885

“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.