SCHEMBL533323

SCHEMBL533323

[c]1ccc(C2OCCCO2)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
HTT P42858 1/20 0.30
LMNA P02545 1/20 0.30

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
Magnesium Chloride Anhydrous SCHEMBL29084761 0.92 CYP11B1 (0.32) CYP11B1CYP11B2MEN1CYP2C19KMT2A
SCHEMBL533185 0.91 MEN1 (0.37) CYP11B1CYP11B2MEN1CYP2C19KMT2A
SCHEMBL9451018 0.83 MEN1 (0.41) CYP11B1CYP11B2MEN1CYP2C19KMT2A
SCHEMBL28647280 0.83 MEN1 (0.32) MEN1CYP2C19KMT2A
SCHEMBL472727 0.81 MEN1 (0.37) MEN1CYP2C19KMT2A
SCHEMBL2879085 0.77 MEN1 (0.34) MEN1CYP2C19KMT2A
SCHEMBL27614062 0.77 CYP2C19 (0.35) CYP11B1CYP11B2MEN1CYP2C19KMT2A
SCHEMBL733501 0.76 CYP2C19 (0.58) MEN1CYP2C19KMT2ASMN1; SMN2
SCHEMBL533266 0.76 KCNH2 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL533376 0.74 KCNH2 (0.43)

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463488-B2 O-Benzyl oxime ethers and fungicides containing them BASF AG (DE) 2004-04-21 EP claimed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP disclosed
EP-0463488-B2 O-Benzyl oxime ethers and fungicides containing them BASF AG (DE) 2004-04-21 EP disclosed
CN-1466572-A Pyrrole derivatives ס����ҩ��ʽ���� 2004-01-07 CN disclosed
US-RE37839-E1 O-benzyloxime ethers and crop protection agents containing these compounds BASF AKTIENGESELLSCHAFT (DE) 2002-09-10 US disclosed
US-6326399-B1 CONTROLLING INSECTS, ARACHNIDS, NEMATODES BASF AKTIENGESELLSCHAFT (DE) 2001-12-04 US disclosed
US-6316459-B1 O-benzyloxime ethers and crop protection agents containing these compounds BASF AG (DE) 2001-11-13 US disclosed
US-6211190-B1 Pyrimidine derivatives, process and intermediate products for their preparation and pesticides or fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 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 (3 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP11B1 518/4885CYP11B2 228/4885MEN1 4120/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP11B1 541/4885CYP11B2 264/4885MEN1 4385/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CYP11B1 32/4885CYP11B2 25/4885MEN1 1413/4885

“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.