SCHEMBL49859

SCHEMBL49859

Pc1ccccc1C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CFTR P13569 1/20 0.37
GOPC Q9HD26 1/20 0.37
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.34
CYP2C9 P11712 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTR2A P28223 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP2C19 P33261 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL24550469 0.81 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1
SCHEMBL4239182 0.76 TYR (0.46) KMT2AALDH1A1CYP2C9MEN1MAPT
SCHEMBL4242747 0.75 HTR2A (0.45) TDP1TSHRCYP2C9HTR2ATAAR1
Bromide SCHEMBL11057369 0.75 DPP4 (0.32) DPP4F2TSHRHTR2ATAAR1
Hydrochloric Acid SCHEMBL11575590 0.75 TYR (0.44) KMT2AALDH1A1TDP1CYP2C9MEN1
SCHEMBL4879178 0.72 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1
SCHEMBL23527420 0.72 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1
SCHEMBL14776314 0.72 ALDH1A1 (0.44) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1
SCHEMBL144 0.71 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3KMT2ACFTR
SCHEMBL41457 0.70 IDO1 (0.53) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1

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 SLC6A2 3590/4885SLC6A4 3958/4885SLC6A3 4599/4885

“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.