SCHEMBL1101274

SCHEMBL1101274

c1ccc(OCCOc2cccc3cccnc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 1.00
RAB9A P51151 4/20 1.00
KDM4E B2RXH2 7/20 0.75
LMNA P02545 5/20 0.75
SMN1; SMN2 Q16637 2/20 0.69
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP2C9 P11712 1/20 0.64
MAPK1 P28482 1/20 0.64
HPGD P15428 1/20 0.63
NPC1 O15118 3/20 0.63
CYP2D6 P10635 1/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.57

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
SCHEMBL15968228 0.95 MAPT (0.91) MAPTRAB9AKDM4ELMNASMN1; SMN2
SCHEMBL18691795 0.95 MAPT (0.91) MAPTRAB9AKDM4ELMNASMN1; SMN2
SCHEMBL29357142 0.84 KDM4E (0.79) MAPTRAB9AKDM4ELMNASMN1; SMN2
SCHEMBL6031547 0.84 KDM4E (0.79) MAPTRAB9AKDM4ELMNASMN1; SMN2
SCHEMBL16299057 0.83 MAPT (0.70) MAPTRAB9AKDM4ELMNASMN1; SMN2
SCHEMBL647053 0.82 RAB9A (0.69) MAPTRAB9AKDM4ELMNASMN1; SMN2
SCHEMBL20553746 0.82 MAPT (0.67) MAPTRAB9AKDM4ELMNASMN1; SMN2
SCHEMBL1101341 0.81 MAPT (0.69) MAPTRAB9AKDM4ELMNASMN1; SMN2
SCHEMBL546185 0.81 RAB9A (0.68) MAPTRAB9AKDM4ELMNASMN1; SMN2
SCHEMBL6027184 0.81 RAB9A (0.68) MAPTRAB9AKDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10125226-B2 Scale-up process of bifunctionalized triblock copolymers with secondary and tertiary amines, with application in dewatering and desalting of heavy crude oils INSTITUTO MEXICANO DEL PETROLEO (MX) 2018-11-13 US claimed
US-20140364566-A1 SCALE-UP PROCESS OF BIFUNCTIONALIZED TRIBLOCK COPOLYMERS WITH SECONDARY AND TERTIARY AMINES, WITH APPLICATION IN DEWATERING AND DESALTING OF HEAVY CRUDE OILS INSTITUTO MEXICANO DEL PETROLEO (MX) 2014-12-11 US claimed
US-8153791-B2 substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-10 US claimed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 US claimed
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
US-9752084-B2 Block copolymers, synthesis and application as dehydrating and desalting of heavy crudes INSTITUTO MEXICANO DEL PETROLEO (MX) 2017-09-05 US disclosed
US-20140364566-A1 SCALE-UP PROCESS OF BIFUNCTIONALIZED TRIBLOCK COPOLYMERS WITH SECONDARY AND TERTIARY AMINES, WITH APPLICATION IN DEWATERING AND DESALTING OF HEAVY CRUDE OILS INSTITUTO MEXICANO DEL PETROLEO (MX) 2014-12-11 US disclosed
US-20140238900-A1 BLOCK COPOLYMERS, SYNTHESIS AND APPLICATION AS DEHYDRATING AND DESALTING OF HEAVY CRUDES INSTITUTO MEXICANO DEL PETROLEO (MX) 2014-08-28 US disclosed
US-8367825-B2 Substituted pyrimidinyl oxime kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-05 US disclosed
US-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors BATTISTA KATHLEEN A (US) 2012-06-21 US disclosed
US-8153791-B2 substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-10 US disclosed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 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 (4 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-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors MAP3K2, MAP3K1, MAP3K20 MAPT 3084/4885RAB9A 3964/4885KDM4E 1680/4885
US-10167388-B2 Block copolymers, synthesis and application as dehydrating and desalting of heavy crudes DEGS1, AQP1, AQP3 MAPT 3902/4885RAB9A 4573/4885KDM4E 4269/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 MAPT 3084/4885RAB9A 3964/4885KDM4E 1680/4885
US-20170327686-A1 BLOCK COPOLYMERS, SYNTHESIS AND APPLICATION AS DEHYDRATING AND DESALTING OF HEAVY CRUDES DEGS1, AQP1, AQP3 MAPT 3902/4885RAB9A 4573/4885KDM4E 4269/4885

“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.