SCHEMBL402370

SCHEMBL402370

[CH2]COc1ccccc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA12 O43570 1/20 0.62
CA4 P22748 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
CA14 Q9ULX7 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 3/20 0.50
APP P05067 1/20 0.50
AGTR1 P30556 1/20 0.50
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MIF P14174 1/20 0.47

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
SCHEMBL9584860 0.87 KDM4E (0.46) CA1CA2CA12CA4CA7
SCHEMBL2001469 0.82 L3MBTL1 (0.58) CA1CA2CA12CA4CA7
SCHEMBL4619630 0.81 ALDH1A1 (0.56) L3MBTL1TDP1LMNACYP1A2ALDH1A1
SCHEMBL5778264 0.80 L3MBTL1 (0.61) CA1CA2CA12CA4CA7
SCHEMBL3157708 0.80 SMN1; SMN2 (0.55) CA1CA2CA12CA4CA7
SCHEMBL1218664 0.80 IDO1 (0.53) CA1CA2CA12CA4CA7
SCHEMBL11364617 0.80 CA1 (0.68) CA1CA2CA12CA4CA7
SCHEMBL1592409 0.80 CA12 (0.68) CA1CA2CA12CA4CA7
SCHEMBL3156651 0.79 SMN1; SMN2 (0.65) CA1CA2CA12CA4CA7
1,2-Dimethoxybenzene SCHEMBL27567930 0.79 CA1 (0.87) CA1CA2CA12CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114751858-B Quinolinyl-containing tranexamic acid derivative and preparation and application thereof 沈阳药科大学 2023-09-12 CN claimed
CN-114751858-A Quinolinyl-containing tranexamic acid derivative, preparation and application thereof 沈阳药科大学 2022-07-15 CN claimed
CN-108586484-B Thienopyran carboxamides and their use 沈阳药科大学 2020-05-15 CN claimed
CN-108822127-A 4- hydroxyl imido grpup thieno [2,3-b] thiapyran -2- Carbox amide and application thereof 沈阳药科大学 2018-11-16 CN claimed
CN-106316867-A Method for preparing 1-(phenyl(2-(2-methoxyphenoxy)ethyl)amido)-3-chlorine-2-propanol 江苏苏南药业实业有限公司 2017-01-11 CN claimed
US-9266867-B2 Piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2016-02-23 US claimed
EP-2697219-B1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2015-03-04 EP claimed
US-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2014-04-10 US claimed
EP-2697219-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS Bioprojet (FR) 2014-02-19 EP claimed
CN-102875477-A Phenyl piperazinepyridazinone and preparation method as well as application thereof UNIV SOUTHERN MEDICAL 2013-01-16 CN claimed
WO-2012140020-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2012-10-18 WO claimed
US-20050131000-A1 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with cdk inhibitory activity ASTRAZENECA AB (SE) 2005-06-16 US claimed
EP-1487823-A1 DERIVATIVES OF 4-(IMIDAZOL-5-YL)-2-(4-SULFOANILINO)PYRIMIDINE WITH CDK INHIBITORY ACTIVITY AstraZeneca AB (SE) 2004-12-22 EP claimed
WO-2003076436-A1 DERIVATIVES OF 4- (IMIDAZOL-5-YL)-2-(4-SULFOANILINO) PYRIMIDINE WITH CDK INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-18 WO claimed
EP-0557526-B1 PYRROLOAZEPINE COMPOUND SUNTORY LTD (JP) 2003-04-02 EP claimed
EP-0512020-A1 PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF Nobel Chemicals AB (SE) 1992-11-11 EP claimed
WO-1991010642-A1 PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF, AND THE INTERMEDIATES PREPARED IN ACCORDANCE WITH THIS PROCESS NOBEL CHEMICALS AB (SE) 1991-07-25 WO claimed
US-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 US claimed
CN-114751858-B Quinolinyl-containing tranexamic acid derivative and preparation and application thereof 沈阳药科大学 2023-09-12 CN disclosed
US-4035143-A HYDROPHOBIC FIBERS AND FILMS, HETEROAROMATIC RADICALS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-12 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 (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-20050131000-A1 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with cdk inhibitory activity CCNI, CDK2, CDK1 CA1 1301/4885CA2 1043/4885CA12 3456/4885
US-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 CA1 4104/4885CA2 3035/4885CA12 4792/4885

“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.