SCHEMBL4585013

SCHEMBL4585013

CC(C)(C)c1ccc2ccc3ccc(C(C)(C)C)nc3c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.43
CCR5 P51681 2/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 2/20 0.32
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 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
SCHEMBL4585864 0.97 CCR1 (0.42) CCR1CCR5RAB9AKDM4ELMNA
Hydrochloric Acid SCHEMBL4387634 0.95 CCR1 (0.40) CCR1CCR5RAB9AKDM4ELMNA
Iodide SCHEMBL4381098 0.95 CCR1 (0.40) CCR1CCR5RAB9AKDM4ELMNA
Bromide SCHEMBL4393343 0.95 CCR1 (0.40) CCR1CCR5RAB9AKDM4ELMNA
SCHEMBL14884090 0.87 CCR1 (0.33) CCR1CCR5RAB9AKDM4ELMNA
SCHEMBL10032260 0.85 SMN1; SMN2 (0.36) CCR1CCR5RAB9AKDM4EMAPT
SCHEMBL23456655 0.83 CCR1 (0.32) CCR1CCR5RAB9A
SCHEMBL10032391 0.83 CCR1 (0.32) CCR1CCR5RAB9A
SCHEMBL14082010 0.83 LMNA (0.61) CCR1CCR5KDM4ELMNAMAPT
SCHEMBL10032281 0.83 SMN1; SMN2 (0.35) CCR1CCR5RAB9AKDM4ESMN1; 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112299949-B Telomerization method of low-activity olefin 西安近代化学研究所 2022-12-13 CN claimed
CN-112159301-B Synthesis method of 2-chloro-1, 4-hexafluoro-2-butene 西安近代化学研究所 2022-12-13 CN claimed
CN-112194561-B Preparation method of cis-hexafluoro-2-butene 西安近代化学研究所 2022-11-11 CN claimed
CN-112500346-B Synthesis method of 5, 6-dihydrobenzo [ c ] acridine 湖南工程学院 2022-03-01 CN claimed
CN-112479997-B Synthetic method of 2, 3-diphenylquinoline 湖南工程学院 2022-02-08 CN claimed
CN-112500346-A Synthesis method of 5, 6-dihydrobenzo [ c ] acridine 湖南工程学院 2021-03-16 CN claimed
CN-112479997-A Synthetic method of 2, 3-diphenylquinoline 湖南工程学院 2021-03-12 CN claimed
CN-112299949-A Telomerization method of low-activity olefin 西安近代化学研究所 2021-02-02 CN claimed
CN-112194561-A Preparation method of cis-hexafluoro-2-butene 西安近代化学研究所 2021-01-08 CN claimed
CN-112159301-A Synthetic method of 2-chloro-1, 1,1,4,4, 4-hexafluoro-2-butene 西安近代化学研究所 2021-01-01 CN claimed
US-20080206890-A1 BIS(2,9-DI-TERT-BUTYL-1,10-PHENANTHROLINE)COPPER(I) COMPLEXES, METHODS OF SYNTHESIS, AND USES THEROF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-08-28 US claimed
CN-112299949-B Telomerization method of low-activity olefin 西安近代化学研究所 2022-12-13 CN disclosed
CN-112159301-B Synthesis method of 2-chloro-1, 4-hexafluoro-2-butene 西安近代化学研究所 2022-12-13 CN disclosed
CN-112194561-B Preparation method of cis-hexafluoro-2-butene 西安近代化学研究所 2022-11-11 CN disclosed
CN-112500346-B Synthesis method of 5, 6-dihydrobenzo [ c ] acridine 湖南工程学院 2022-03-01 CN disclosed
US-7361414-B2 Light emitting device and display apparatus using same CANON KABUSHIKI KAISHA (JP) 2008-04-22 US disclosed
US-7279233-B2 Light-emitting material and light-emitting device CANON KABUSHIKI KAISHA (JP) 2007-10-09 US disclosed
US-7279233-B2 Light-emitting material and light-emitting device CANON KABUSHIKI KAISHA (JP) 2007-10-09 US disclosed
US-20070232841-A1 FLUORENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2007-10-04 US disclosed
US-6391648-B1 ASSOCIATIONS FOR USE AS OPTICAL OXYGEN DETECTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-05-21 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-20080206890-A1 BIS(2,9-DI-TERT-BUTYL-1,10-PHENANTHROLINE)COPPER(I) COMPLEXES, METHODS OF SYNTHESIS, AND USES THEROF TTI1, TTI2, TCOF1 CCR1 2095/4885CCR5 3407/4885RAB9A 1064/4885
US-20070232841-A1 FLUORENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME AFF2, LEF1, AFF1 CCR1 4722/4885CCR5 4477/4885RAB9A 807/4885

“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.