SCHEMBL2980496

SCHEMBL2980496

CN1CCCC1CCCO

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 1/20 0.44
ESRRG P62508 6/20 0.41
ESR1 P03372 4/20 0.41
ESRRB O95718 2/20 0.40
KCNH2 Q12809 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL12535509 0.94 CYP1A2 (0.58) CYP1A2ALDH1A1S1PR1S1PR3S1PR5
SCHEMBL28185799 0.93 CYP1A2 (0.44) CYP1A2ALDH1A1ESRRGESR1ESRRB
SCHEMBL13014945 0.88 CYP1A2 (0.56) CYP1A2ALDH1A1S1PR1S1PR3S1PR5
SCHEMBL4065310 0.87
SCHEMBL236633 0.87
SCHEMBL21591048 0.87
SCHEMBL19376421 0.87 CYP1A2 (0.57) CYP1A2ALDH1A1S1PR1S1PR3S1PR5
Trifluoroacetic Acid SCHEMBL28185812 0.85 CHRNB2 (0.41) CYP1A2ESRRGESR1
SCHEMBL26729156 0.85 CYP1A2 (0.44) CYP1A2ALDH1A1ESRRGESR1ESRRB
Trifluoromethanesulfonic Acid SCHEMBL28186554 0.84 CYP1A2 (0.41) CYP1A2ALDH1A1ESRRGESR1KCNH2

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107427758-A Utilize the separation of ion liquid solvent 切弗朗菲利浦化学公司 2017-12-01 CN claimed
US-7498335-B2 Method of producing an antiangiogenic or vascular permeability reducing effect ASTRAZENECA AB (CH) 2009-03-03 US claimed
EP-1296973-B1 GUANIDINE DERIVATIVES OF QUINAZOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2008-11-05 EP claimed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP claimed
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US claimed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 EP claimed
US-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 US claimed
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US claimed
US-20030225111-A1 Therapy ASTRAZENECA AB (SE) 2003-12-04 US claimed
EP-1296973-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AstraZeneca AB (SE) 2003-04-02 EP claimed
EP-1102743-B1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2002-07-24 EP claimed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP claimed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO claimed
WO-2002000644-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2002-01-03 WO claimed
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP claimed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO claimed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 WO claimed
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO disclosed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 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-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 CYP1A2 4537/4885ALDH1A1 2260/4885ESRRG 196/4885
US-20030225111-A1 Therapy VEGFA, AQP1, FLT1 CYP1A2 482/4885ALDH1A1 257/4885ESRRG 4323/4885

“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.