SCHEMBL30007452

SCHEMBL30007452

c1ccc(Cn2c3ccccc3c3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 1.00
P2RX4 Q99571 2/20 0.77
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPK1 P28482 2/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
SRC P12931 1/20 0.57
HDAC6 Q9UBN7 2/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC10 Q969S8 1/20 0.56
PGR P06401 1/20 0.56
CYP2C9 P11712 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL151053 1.00 CYP19A1 (1.00) CYP19A1P2RX4SMN1; SMN2LMNACYP1A2
Bromide SCHEMBL28888744 0.98 CYP19A1 (0.95) CYP19A1P2RX4SMN1; SMN2LMNACYP1A2
Ammonia Solution, Strong SCHEMBL29210102 0.98 CYP19A1 (0.95) CYP19A1P2RX4SMN1; SMN2LMNACYP1A2
SCHEMBL9398256 0.98 CYP19A1 (0.95) CYP19A1P2RX4SMN1; SMN2LMNACYP1A2
SCHEMBL13957035 0.93 CYP19A1 (0.86) CYP19A1P2RX4CYP1A2CYP2C19HDAC6
SCHEMBL17104579 0.90 CYP19A1 (0.81) CYP19A1P2RX4SMN1; SMN2LMNAMEN1
SCHEMBL17112767 0.90 CYP19A1 (0.81) CYP19A1P2RX4SMN1; SMN2LMNAMEN1
Acetic Acid SCHEMBL9519258 0.88 CYP19A1 (0.78) CYP19A1P2RX4SMN1; SMN2LMNACYP1A2
SCHEMBL8154947 0.87 CYP19A1 (0.77) CYP19A1P2RX4CYP1A2CYP2C19HDAC6
SCHEMBL29904927 0.87 P2RX4 (1.00) CYP19A1P2RX4SMN1; SMN2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220370411-A1 EARLY MANAGEMENT, MITIGATION and PREVENTION OF SEPSIS and SEPSIS-LIKE SYNDROMES, INCLUDING NEO-NATAL ARDS DUE TO INFECTION, INJURY or IATROGENESIS OPHIREX INC (US) 2022-11-24 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-20220370411-A1 EARLY MANAGEMENT, MITIGATION and PREVENTION OF SEPSIS and SEPSIS-LIKE SYNDROMES, INCLUDING NEO-NATAL ARDS DUE TO INFECTION, INJURY or IATROGENESIS PLA2G12A, PLA2G3, PLA2G1B CYP19A1 2391/4885P2RX4 2655/4885SMN1; SMN2 237/4885

“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.