SCHEMBL828074

SCHEMBL828074

O=C1C2C3C=CC(O3)C2C(=O)N1C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
KMT2A Q03164 1/20 0.65
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 2/20 0.50
ATM Q13315 1/20 0.43
THRB P10828 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
ADCY2 Q08462 2/20 0.40
ADRA2A P08913 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
CYP19A1 P11511 1/20 0.37
ACHE P22303 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
SCHEMBL17469331 1.00 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL17532437 0.85 ATM (0.46) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL31372407 0.76 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL521622 0.76 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL31372514 0.76 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL20464796 0.76 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL2756761 0.73 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL15085995 0.73 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL13135498 0.71 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL10014722 0.71 KMT2A (0.61) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19

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-1950216-B1 PROCESS FOR PRODUCING ORGANIC TRANSITION METAL COMPLEX COMPOUND MITSUI CHEMICALS INC (JP) 2018-08-29 EP disclosed
US-9856353-B2 Optical film and display device including same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-01-02 US disclosed
US-20160060409-A1 OPTICAL FILM AND DISPLAY DEVICE INCLUDING SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-03-03 US disclosed
US-20160060409-A1 OPTICAL FILM AND DISPLAY DEVICE INCLUDING SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-03-03 US disclosed
US-9212241-B2 Optical film and display device including same SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-12-15 US disclosed
US-9212241-B2 Optical film and display device including same SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-12-15 US disclosed
US-20130172503-A1 OPTICAL FILM AND DISPLAY DEVICE INCLUDING SAME CHEIL INDUSTRIES INC. (KR) 2013-07-04 US disclosed
US-20130172503-A1 OPTICAL FILM AND DISPLAY DEVICE INCLUDING SAME CHEIL INDUSTRIES INC. (KR) 2013-07-04 US disclosed
US-8211984-B2 Ring-opening metathesis polymer, hydrogenated product thereof, method for preparing the same, and use thereof MITSUI CHEMICALS, INC. (JP) 2012-07-03 US disclosed
US-8143429-B2 Process for producing organic transition metal complex compound, metathesis catalyst produced by using the same, ring-opening metathesis polymer obtainable with the metathesis catalyst, and process for producing the polymer MITSUI CHEMICALS, INC. (JP) 2012-03-27 US disclosed
US-20090215974-A1 RING-OPENING METATHESIS POLYMER, HYDROGENATED PRODUCT THEREOF, METHOD FOR PREPARING THE SAME, AND USE THEREOF MITSUI CHEMICALS INC (JP) 2009-08-27 US disclosed
US-20090124772-A1 PROCESS FOR PRODUCING ORGANIC TRANSITION METAL COMPLEX COMPOUND, METATHESIS CATALYST PRODUCED BY USING THE SAME, RING-OPENING METATHESIS POLYMER OBTAINABLE WITH THE METATHESIS CATALYST, AND PROCESS FOR PRODUCING THE POLYMER MITSUI CHEMICALS, INC. (JP) 2009-05-14 US disclosed
EP-2045280-A1 RING-OPENING METATHESIS POLYMERS, PRODUCTS OF HYDROGENATION THEREOF, PROCESS FOR PRODUCTION OF THE SAME AND USES THEREOF Mitsui Chemicals, Inc. (JP) 2009-04-08 EP disclosed
EP-1950216-A1 PROCESS FOR PRODUCING ORGANIC TRANSITION METAL COMPLEX COMPOUND, METATHESIS CATALYST PRODUCED BY THE PROCESS, METATHESIS POLYMER FORMED BY RING OPENING POLYMERIZATION WITH THE SAME, AND PROCESS FOR PRODUCING POLYMER WITH THE SAME Mitsui Chemicals, Inc. (JP) 2008-07-30 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 (1 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-20090124772-A1 PROCESS FOR PRODUCING ORGANIC TRANSITION METAL COMPLEX COMPOUND, METATHESIS CATALYST PRODUCED BY USING THE SAME, RING-OPENING METATHESIS POLYMER OBTAINABLE WITH THE METATHESIS CATALYST, AND PROCESS FOR PRODUCING THE POLYMER PORCN, ICMT, ME1 ALDH1A1 3315/4885SMN1; SMN2 2603/4885CYP3A4 672/4885

“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.