SCHEMBL4428294

SCHEMBL4428294

CCCCOC=C(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
NAAA Q02083 1/20 0.32
CYP3A4 P08684 1/20 0.32
ACHE P22303 1/20 0.31
GBA1 P04062 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL4428248 0.93 NAAA (0.40) HCAR2NAAAGBA1CA1CA2
SCHEMBL4429473 0.91 NAAA (0.43) TSHRHCAR2NAAAGBA1CA1
SCHEMBL4427552 0.91 NAAA (0.43) TSHRHCAR2NAAAGBA1CA1
SCHEMBL4429493 0.91 NAAA (0.43) TSHRHCAR2NAAAGBA1CA1
SCHEMBL4430759 0.91 NAAA (0.43) TSHRHCAR2NAAAGBA1CA1
SCHEMBL4431935 0.91 NAAA (0.43) TSHRHCAR2NAAAGBA1CA1
SCHEMBL4426715 0.91 NAAA (0.43) TSHRHCAR2NAAAGBA1CA1
SCHEMBL4430261 0.91 NAAA (0.43) TSHRHCAR2NAAAGBA1CA1
SCHEMBL31053910 0.89 ATM (0.34) ATMTSHRADRB2ADRB1ADRB3
SCHEMBL11064469 0.87 NAAA (0.33) NAAAACHEGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544461-B2 Near infrared ray activation type positive resin composition KANSAI PAINT CO., LTD. (JP) 2009-06-09 US disclosed
EP-1767993-B1 Positive photosensitive composition and pattern forming method using the same FUJIFILM CORP (JP) 2008-12-24 EP disclosed
US-7358030-B2 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2008-04-15 US disclosed
US-20070259279-A1 Near Infrared Ray Activation Type Positive Resin Composition KANSAI PAINT CO., LTD. (JP) 2007-11-08 US disclosed
CN-101027609-A Positive resin composition of near-infrared-ray activation type KANSAI PAINT CO LTD (JP) 2007-08-29 CN disclosed
EP-1788432-A1 POSITIVE RESIN COMPOSITION OF NEAR-INFRARED-RAY ACTIVATION TYPE Kansai Paint Co., Ltd. (JP) 2007-05-23 EP disclosed
US-20060074262-A1 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2006-04-06 US disclosed
US-7015363-B2 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2006-03-21 US disclosed
US-20040181097-A1 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2004-09-16 US disclosed
EP-1415968-A1 PROCESS FOR PRODUCING ETHER COMPOUND Kyowa Yuka Co., Ltd. (JP) 2004-05-06 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 (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-20060074262-A1 Process for producing ether compound AGL, ARL1, CYP2C8 ATM 3315/4885TSHR 3842/4885ADRB2 844/4885
US-20040181097-A1 Process for producing ether compound CYP2E1, ARL1, MRPL21 ATM 4006/4885TSHR 4266/4885ADRB2 611/4885

“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.