SCHEMBL533272

SCHEMBL533272

CC(C)(C)Oc1cccc(-c2cc[c]cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP4B1 P13584 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP3A5 P20815 1/20 0.37
CYP2A7 P20853 1/20 0.37
CYP3A7 P24462 1/20 0.37
CYP2F1 P24903 1/20 0.37

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
SCHEMBL12250910 0.85 KIF11 (0.43) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL30777597 0.85 KIF11 (0.43) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL533475 0.84 DRD1 (0.35) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL534246 0.82 SLC13A5 (0.44) KCNH2SCN10AXDHDYRK1A
SCHEMBL533719 0.79 CYP3A4 (0.55) ALDH1A1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL533636 0.79 RIPK1 (0.37) KDM4EMEN1ALDH1A1KMT2AKIF11
SCHEMBL22127721 0.78 ABL1 (0.56) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL260934 0.76 KIF11 (0.47) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL8478981 0.75 ABL1 (0.58) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL534325 0.75 RXRA (0.58) KDM4EALDH1A1HPGDCYP3A4RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108107676-A Chemically amplified positive resist film laminated body and pattern formation method 信越化学工业株式会社 2018-06-01 CN disclosed
CN-107615168-A Radiation-sensitive composition 日产化学工业株式会社 2018-01-19 CN disclosed
CN-103797418-B A kind of negative light-sensitive resin combination, pattern formation method, cured film, dielectric film, colour filter and display device 东京应化工业株式会社 2017-06-13 CN disclosed
CN-106610566-A Chemically amplified positive resist composition and patterning process 信越化学工业株式会社 2017-05-03 CN disclosed
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

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 KDM4E 2779/4885MEN1 4120/4885ALDH1A1 204/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 KDM4E 2804/4885MEN1 4385/4885ALDH1A1 256/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 KDM4E 3706/4885MEN1 1413/4885ALDH1A1 377/4885

“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.