SCHEMBL16382998

SCHEMBL16382998

CC(C)(C)Cc1ccc(-c2ncco2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 9/20 0.46
▸ CHRNA7 P36544 1/20 0.43
▸ CHRNA10 Q9GZZ6 1/20 0.43
▸ CHRNA9 Q9UGM1 1/20 0.43
▸ KCNJ1 P48048 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ HPGDS O60760 1/20 0.40
▸ HDAC4 P56524 1/20 0.36
▸ EDNRB P24530 1/20 0.36
▸ EDNRA P25101 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ CES1 P23141 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL19286622 0.85 LTA4H (0.36) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1
SCHEMBL16383003 0.81 HPGDS (0.43) LTA4HCHRNA7CHRNA10CHRNA9HPGDS
SCHEMBL8239613 0.80 LTA4H (0.50) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1
SCHEMBL722557 0.79 LTA4H (0.64) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1
SCHEMBL3628598 0.77 LTA4H (0.47) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1
SCHEMBL17254244 0.77 KCNJ1 (0.49) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1
SCHEMBL28320605 0.77 LTA4H (0.62) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1
SCHEMBL28257875 0.77 LTA4H (0.62) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1
SCHEMBL28362996 0.77 LTA4H (0.62) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1
SCHEMBL15018654 0.77 LTA4H (0.50) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 — — US disclosed
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-03-07 — — US disclosed
US-9745331-B2 Therapeutic bisphosphonates UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2017-08-29 — — US disclosed
US-9745331-B2 Therapeutic bisphosphonates UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2017-08-29 — — US disclosed
US-9416149-B2 Methods to modulate Rac1 import and to treat pulmonary fibrosis UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-08-16 — — US disclosed
US-20150322099-A1 THERAPEUTIC BISPHOSPHONATES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2015-11-12 — — US disclosed
US-20150005261-A1 METHODS TO MODULATE RAC1 IMPORT AND TO TREAT PULMONARY FIBROSIS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2015-01-01 — — 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 (5 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-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 LTA4H 1445/4885CHRNA7 4860/4885CHRNA10 4862/4885
US-20150005261-A1 METHODS TO MODULATE RAC1 IMPORT AND TO TREAT PULMONARY FIBROSIS RHOT2, RHOA, RAC1 LTA4H 1413/4885CHRNA7 4309/4885CHRNA10 4133/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 LTA4H 1445/4885CHRNA7 4860/4885CHRNA10 4862/4885
US-20150322099-A1 THERAPEUTIC BISPHOSPHONATES PPA1, GGPS1, FDPS LTA4H 1159/4885CHRNA7 4832/4885CHRNA10 4836/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 LTA4H 1445/4885CHRNA7 4860/4885CHRNA10 4862/4885

“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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