SCHEMBL17000201

SCHEMBL17000201

CCCc1cc(C(C)C(C)C)ccn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SREBF2 Q12772 13/20 0.39
▸ MAPT P10636 3/20 0.37
▸ ATM Q13315 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL13533992 0.85 KDM4E (0.50) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL17000203 0.85 CYP1A2 (0.43) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL18799858 0.75 LMNA (0.40) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL2547950 0.74 KCNH2 (0.42) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL17000197 0.73 KDM4E (0.49) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL487201 0.72 KDM4E (0.56) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL28870870 0.72 KCNH2 (0.41) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL17000210 0.71 ACACB (0.42) ALDH1A1
SCHEMBL17000190 0.71 UHRF1 (0.48) KDM4ECYP3A4
SCHEMBL7893402 0.71 KDM4E (0.55) KDM4ELMNACYP3A4TSHRSREBF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9516880-B2 Herbicidal and fungicidal 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides BAYER CROPSCIENCE AG (DE) 2016-12-13 — — US disclosed
US-9516880-B2 Herbicidal and fungicidal 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides BAYER CROPSCIENCE AG (DE) 2016-12-13 — — US disclosed
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-09-03 — — US disclosed
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-09-03 — — US disclosed
US-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-08-13 — — US disclosed
US-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-08-13 — — 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-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES CBR3, CYP3A7, PRDX3 KDM4E 1893/4885LMNA 4640/4885CYP3A4 60/4885
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES CYP4X1, PRDX4, PRDX5 KDM4E 982/4885LMNA 4662/4885CYP3A4 59/4885

“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.

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