SCHEMBL6745371

SCHEMBL6745371

C1=CCC(=Cc2ccccc2)C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 3/20 0.36
F3 P13726 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
HPGD P15428 2/20 0.32
MAOB P27338 2/20 0.31
TSHR P16473 1/20 0.31
CYP2A6 P11509 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
Methylamine SCHEMBL28226585 0.96 ALDH1A1 (0.35) ALDH1A1HTTCYP1A2F3NFKB1
SCHEMBL28248584 0.89 ALDH1A1 (0.35) ALDH1A1HTTCYP1A2F3NFKB1
SCHEMBL21616789 0.80 NPC1 (0.42) HTTMAPTSMN1; SMN2MAOANPC1
SCHEMBL28182498 0.78 PTPN1 (0.50) ALDH1A1CYP1A2LMNAMAPTCYP2C19
SCHEMBL30849656 0.77 CYP1A2 (0.44) ALDH1A1CYP1A2RELALMNAMAPT
SCHEMBL28308866 0.72 CA1 (0.33) CYP2D6CYP2C19
SCHEMBL28066368 0.72 CYP1A2 (0.44) ALDH1A1HTTCYP1A2F3LMNA
SCHEMBL28175288 0.72 CYP1A2 (0.34) ALDH1A1HTTCYP1A2F3NFKB1
SCHEMBL8401484 0.71 CYP1A2 (0.33) ALDH1A1HTTCYP1A2F3PIM1
SCHEMBL1028440 0.71 IKBKB (0.40)

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
CN-110392725-A Novel smooth orientation composition for pre-tilt angle in stabilizing solution crystal layer 罗利克技术有限公司 2019-10-29 CN claimed
US-20030069421-A1 3-(Piperazinylbenzylidenyl)-2-indolinone compounds and derivatives as protein tyrosine kinase inhibitors SUGEN, INC. 2003-04-10 US claimed
CN-108546224-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN disclosed
CN-108530243-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN disclosed
CN-108546223-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-02-11 CN disclosed
CN-108558589-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-02-08 CN disclosed
CN-107930696-B Application of rare earth trimethyl cyclopentadienyl complex in catalyzing hydroboration reaction of imine and borane 苏州大学 2020-02-11 CN disclosed
CN-105829922-B Polymer composition and the method for manufacturing ophthalmic lens using the polymer composition 依视路国际公司 2019-10-25 CN disclosed
CN-105431283-B Increasing material manufacturing for transparent glasses piece 依视路国际公司 2019-09-10 CN disclosed
CN-109722260-A Light orientation aligning agent for liquid crystal, liquid crystal orientation film and its application and azobenzene derivatives, diamines and polymer 捷恩智株式会社 2019-05-07 CN disclosed
CN-107887616-A A kind of oxidation reduction catalyst of novel transition metal modification and preparation method thereof 中国石油大学(华东) 2018-04-06 CN disclosed
US-6696448-B2 USEFUL IN THE PREVENTION AND TREATMENT OF PROTEIN TYROSINE KINASE RELATED CELLULAR DISORDERS SUCH AS CANCER, DIABETES, AUTOIMMUNE DISORDERS, HYPERPROLIFERATIVE DISORDERS SUCH AS RHEUMATOID ARTHRITIS AND INFLAMMATORY DISORDERS SUGEN, INC. 2004-02-24 US disclosed
US-20030069421-A1 3-(Piperazinylbenzylidenyl)-2-indolinone compounds and derivatives as protein tyrosine kinase inhibitors SUGEN, INC. 2003-04-10 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 (1 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-20030069421-A1 3-(Piperazinylbenzylidenyl)-2-indolinone compounds and derivatives as protein tyrosine kinase inhibitors ABL1, ERBB2, PTK2B ALDH1A1 1507/4885HTT 3509/4885CYP1A2 3184/4885

“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.