SCHEMBL50088

SCHEMBL50088

Pc1cccc(Cc2ccccc2)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
CALM1 P0DP23 1/20 0.42
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
IDH1 O75874 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CTRC Q99895 1/20 0.37
NR1H2 P55055 1/20 0.37
PTPN1 P18031 1/20 0.37
ALOX5 P09917 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL14037003 0.83 HTR2A (0.58) HTR2ACALM1BCL2BCL2L1IDH1
SCHEMBL8056668 0.78 BCL2 (0.53) HTR2ACALM1BCL2BCL2L1IDH1
SCHEMBL4250559 0.78 CALM1 (0.44) HTR2ACALM1BCL2BCL2L1IDH1
SCHEMBL9763812 0.77 HPGD (0.45) HTR2ACALM1BCL2BCL2L1CYP1A2
SCHEMBL972711 0.72 CALM1 (0.69) HTR2ACALM1BCL2BCL2L1CYP3A4
SCHEMBL3853253 0.72 CA1 (0.50)
SCHEMBL28130657 0.72 BCL2 (0.38) HTR2ACALM1BCL2BCL2L1CYP1A2
SCHEMBL8060422 0.71 CALM1 (0.46) HTR2ACALM1BCL2BCL2L1CYP1A2
SCHEMBL8607293 0.71 ELANE (0.54) BCL2BCL2L1PTPN1HPGD
SCHEMBL29738651 0.71 ELANE (0.54) BCL2BCL2L1PTPN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129467-B2 Curing accelerating compound-silica composite material, method for producing curing accelerating compound-silica composite material, curing accelerator, curable resin composition, and electronic component device HITACHI CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20090062460-A1 CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, METHOD FOR PRODUCING CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, CURING ACCELERATOR, CURABLE RESIN COMPOSITION, AND ELECTRONIC COMPONENT DEVICE HITACHI CHEMICAL CO., LTD. (JP) 2009-03-05 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-20090062460-A1 CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, METHOD FOR PRODUCING CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, CURING ACCELERATOR, CURABLE RESIN COMPOSITION, AND ELECTRONIC COMPONENT DEVICE NCAPH, RAD51, H1-2 HTR2A 721/4885CALM1 3418/4885BCL2 4433/4885

“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.