SCHEMBL19980439

SCHEMBL19980439

Brc1cccc2cccc(-c3cccnc3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.50
CYP11B2 P19099 6/20 0.50
TP53 P04637 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 4/20 0.47
CYP2A6 P11509 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45

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
SCHEMBL26260009 0.87 CYP11B1 (0.57) CYP11B1CYP11B2TP53RAB9AGAA
SCHEMBL4620048 0.81 TNF (0.54) CYP11B1CYP11B2TP53RAB9AGAA
SCHEMBL16057387 0.80 ALDH1A1 (0.42) RAB9ANPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL2841879 0.80 TP53 (0.65) CYP11B1TP53RAB9AGAANPC1
SCHEMBL31232584 0.80 TP53 (0.65) CYP11B1TP53RAB9AGAANPC1
SCHEMBL22686772 0.79 TP53 (0.51) CYP11B1CYP11B2TP53RAB9AGAA
SCHEMBL29961643 0.77 MAPK1 (0.60) TP53RAB9AGAAALDH1A1CYP2A6
SCHEMBL15457919 0.77 MAPK1 (0.60) TP53RAB9AGAAALDH1A1CYP2A6
SCHEMBL9655789 0.77 TP53 (0.50) CYP11B1CYP11B2TP53RAB9AGAA
SCHEMBL9657307 0.77 TP53 (0.50) CYP11B1CYP11B2TP53RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512841-B1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2023-04-26 EP disclosed
US-11447464-B2 Compounds with spirobifluorene-structures MERCK PATENT GMBH (DE) 2022-09-20 US disclosed
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2019-06-27 US disclosed
WO-2018050584-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2018-03-22 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-11447464-B2 Compounds with spirobifluorene-structures SLCO1B3, SLCO4C1, SLCO1B1 CYP11B1 1109/4885CYP11B2 759/4885TP53 3935/4885
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES SLCO1B3, SLCO4C1, SLCO1B1 CYP11B1 1109/4885CYP11B2 759/4885TP53 3935/4885

“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.