SCHEMBL17000203

SCHEMBL17000203

CCc1cc(C(C)C(C)C)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ SREBF1 P36956 1/20 0.35
▸ SREBF2 Q12772 1/20 0.35
▸ PRKCI P41743 1/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ SORD Q00796 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ AAK1 Q2M2I8 2/20 0.32
▸ MTOR P42345 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ GRIN1 Q05586 4/20 0.31
▸ GRIN2B Q13224 4/20 0.31

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
SCHEMBL17000201 0.85 KDM4E (0.47) CYP1A2POLBSREBF2KDM4ELMNA
SCHEMBL11994370 0.84 CYP1A2 (0.46) CYP1A2POLBSREBF1SREBF2PRKCI
SCHEMBL18415133 0.81 CYP1A2 (0.47) CYP1A2POLBSREBF1SREBF2PRKCI
SCHEMBL14643122 0.81 CYP1A2 (0.43) CYP1A2POLBSREBF1SREBF2PRKCI
SCHEMBL28235461 0.81 CYP1A2 (0.43) CYP1A2POLBSREBF1SREBF2PRKCI
SCHEMBL19846685 0.81 CYP1A2 (0.47) CYP1A2POLBSREBF1SREBF2PRKCI
SCHEMBL27652629 0.81 CYP1A2 (0.43) CYP1A2POLBSREBF1SREBF2PRKCI
SCHEMBL20960558 0.76 CYP1A2 (0.46) CYP1A2POLBSREBF1SREBF2PRKCI
SCHEMBL19910242 0.76 CYP1A2 (0.42) CYP1A2POLBSREBF1SREBF2PRKCI
SCHEMBL11266102 0.75 AKR1C3 (0.50) CYP1A2POLBKDM4ELMNACYP3A4

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 CYP1A2 10/4885POLB 3144/4885SREBF1 4487/4885
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES CYP4X1, PRDX4, PRDX5 CYP1A2 19/4885POLB 3521/4885SREBF1 4445/4885

“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.

Send feedback