SCHEMBL14722016

SCHEMBL14722016

c1ccc(C(Cn2ccnc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 1.00
CYP11B2 P19099 9/20 1.00
CYP19A1 P11511 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
TBXAS1 P24557 2/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
QPCT Q16769 1/20 0.55
CYP4Z1 Q86W10 1/20 0.55
QPCTL Q9NXS2 1/20 0.55
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP17A1 P05093 1/20 0.49
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL11265991 0.86 CYP11B1 (0.75) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL21585708 0.82 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL10940697 0.82 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11023652 0.82 CYP11B1 (0.69) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11107776 0.79 CYP11B1 (0.65) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11480633 0.78 CYP11B1 (0.64) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11019493 0.78 CYP11B1 (0.63) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL14416068 0.77 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11085080 0.77 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11019422 0.77 CYP11B1 (0.61) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167388-B2 Block copolymers, synthesis and application as dehydrating and desalting of heavy crudes INSTITUTO MEXICANO DEL PETROLEO (MX) 2019-01-01 US disclosed
US-20170327686-A1 BLOCK COPOLYMERS, SYNTHESIS AND APPLICATION AS DEHYDRATING AND DESALTING OF HEAVY CRUDES MEXICANO INST PETROL (MX) 2017-11-16 US disclosed
EP-2748168-A2 INHIBITORS OF NEDD8-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2014-07-02 EP disclosed
WO-2013028832-A2 INHIBITORS OF NEDD8-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-28 WO 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-10167388-B2 Block copolymers, synthesis and application as dehydrating and desalting of heavy crudes DEGS1, AQP1, AQP3 CYP11B1 1229/4885CYP11B2 1409/4885CYP19A1 1407/4885
US-20170327686-A1 BLOCK COPOLYMERS, SYNTHESIS AND APPLICATION AS DEHYDRATING AND DESALTING OF HEAVY CRUDES DEGS1, AQP1, AQP3 CYP11B1 1229/4885CYP11B2 1409/4885CYP19A1 1407/4885

“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.