SCHEMBL2606103

SCHEMBL2606103

ClP(c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MGLL Q99685 3/20 0.40
HDAC8 Q9BY41 2/20 0.39
KMO O15229 1/20 0.39
ESR2 Q92731 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
CYP3A4 P08684 2/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AGXT P21549 1/20 0.36

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
SCHEMBL2884228 0.86 MAOA (0.44) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL8035535 0.83 ALDH1A1 (0.45) MAOAALDH1A1KMOESR2CYP1A2
SCHEMBL4451573 0.80 CYP3A4 (0.55) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL27456368 0.78 CYP3A4 (0.60) MAOAALDH1A1MGLLHDAC8KMO
Hydrochloric Acid SCHEMBL5433165 0.78 CYP3A4 (0.52) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL12353550 0.77 CYP3A4 (0.35) MAOAMGLLCYP1A2ALOX5CYP3A4
SCHEMBL8035484 0.77 ALDH1A1 (0.50) ALDH1A1MGLLESR2CYP1A2ALOX5
SCHEMBL14244857 0.76 MAOA (0.44) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL12621189 0.76 MGLL (0.50) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL31189334 0.76 MAOA (0.44) MAOAALDH1A1MGLLHDAC8KMO

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
US-10305040-B2 Spiro dihydroacridine derivatives and the use thereof as materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2019-05-28 US disclosed
US-20140316134-A1 SPIRO DIHYDROACRIDINE DERIVATIVES AND THE USE THEREOF AS MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-10-23 US disclosed
US-20140316134-A1 SPIRO DIHYDROACRIDINE DERIVATIVES AND THE USE THEREOF AS MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-10-23 US disclosed
WO-2013083216-A1 SPIRO DIHYDROACRIDINE DERIVATIVES AND THE USE THEREOF AS MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2013-06-13 WO disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 US disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 US disclosed
EP-2260023-B1 FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2012-04-25 EP disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 US disclosed
WO-2009124627-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-15 WO disclosed
US-6084133-A REACTING A PHOSPHINE HALIDE WITH A METAL, THEN PROTONATION RESULTING DIORGANO-SUBSTITUTED METAL PHOSPHIDE; SIMPLIFICATION, NONTOXIC, EFFICIENCY KANKYO KAGAKU CENTER CO., LTD. (JP) 2000-07-04 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-10305040-B2 Spiro dihydroacridine derivatives and the use thereof as materials for organic electroluminescence devices SORD, ALDH1A1, SDHA MAOA 1434/4885ALDH1A1 2/4885MGLL 4751/4885
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 MAOA 362/4885ALDH1A1 2171/4885MGLL 3007/4885

“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.