SCHEMBL21164691

SCHEMBL21164691

CCCC(C)(CC)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.46
▸ ESR2 Q92731 4/20 0.46
▸ RIPK1 Q13546 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ AR P10275 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ KCNN4 O15554 1/20 0.32
▸ ACHE P22303 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
SCHEMBL25101398 0.91 ESR1 (0.48) ESR1ESR2RIPK1CYP17A1ALDH1A1
SCHEMBL24305005 0.88 ESR1 (0.40) ESR1ESR2KDM4ECYP17A1HTR7
SCHEMBL14625003 0.87 ESR1 (0.45) ESR1ESR2RIPK1KDM4ECYP17A1
SCHEMBL21791809 0.84 ESR1 (0.43) ESR1ESR2RIPK1HTR7HPGD
SCHEMBL22955761 0.83 ESR1 (0.46) ESR1ESR2ALDH1A1SMN1; SMN2MEN1
SCHEMBL10178596 0.81 ESR1 (0.36) ESR1ESR2RIPK1KDM4ECYP17A1
SCHEMBL24685643 0.81 ESR1 (0.41) ESR1ESR2RIPK1ALDH1A1SMN1; SMN2
SCHEMBL24962192 0.79 ESR1 (0.46) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL24004027 0.79 ESR1 (0.50) ESR1ESR2ALDH1A1MEN1NPC1
SCHEMBL10835512 0.79 ESR1 (0.44) ESR1ESR2RIPK1KDM4ECYP17A1

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
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 — — US disclosed
US-10836770-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or INF alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-17 — — US disclosed
US-20190225620-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2019-07-25 — — US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 — — 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 (4 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-20190225620-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES TYK2, IL2, IFNAR1 ESR1 4755/4885ESR2 1856/4885RIPK1 126/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 ESR1 4768/4885ESR2 4317/4885RIPK1 3217/4885
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB ESR1 1884/4885ESR2 2708/4885RIPK1 886/4885
US-10836770-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or INF alpha responses TYK2, IL2, IFNAR1 ESR1 4358/4885ESR2 1682/4885RIPK1 86/4885

“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.

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