SCHEMBL8176145

SCHEMBL8176145

O=C(N1CCc2cc(O)ccc2C1)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 12/20 1.00
ESR1 P03372 11/20 1.00
ABHD6 Q9BV23 4/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PKM P14618 1/20 0.46
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
DRD3 P35462 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
SCHEMBL373697 0.91 ESR2 (0.83) ESR2ESR1ABHD6CA1CA2
SCHEMBL23395334 0.88 ESR2 (0.79) ESR2ESR1ABHD6CA1CA2
SCHEMBL25604135 0.87 ESR2 (0.77) ESR2ESR1ABHD6HDAC8HDAC6
SCHEMBL25206226 0.87 ESR2 (0.76) ESR2ESR1ABHD6HDAC8HDAC6
SCHEMBL3874010 0.84 ESR2 (0.72) ESR2ESR1ABHD6HDAC8HDAC6
SCHEMBL419896 0.84 ESR2 (0.72) ESR2ESR1ABHD6HDAC8HDAC6
SCHEMBL14100712 0.84 ESR2 (0.72) ESR2ESR1ABHD6HDAC8HDAC6
SCHEMBL4179872 0.84 ESR2 (0.72) ESR2ESR1ABHD6CA1CA2
SCHEMBL29963966 0.84 ESR2 (0.72) ESR2ESR1ABHD6HDAC8HDAC6
SCHEMBL10067649 0.81 ESR2 (0.68) ESR2ESR1ABHD6HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11986471-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2024-05-21 US disclosed
US-20230060499-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2023-03-02 US disclosed
US-20230060499-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2023-03-02 US disclosed
US-11077101-B1 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-11077101-B1 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-6096752-A Method for the preparation of tertiary amines, a compound useful therefor and alpha-2-receptor active tetrahydroisoquinoline derivatives HEINONEN PETRI (FI) 2000-08-01 US disclosed
US-5912342-A SYNTHESIS OF COMBINATORIAL LIBRARIES BY COMPUTER CONTROLLED ROBOT HEINONEN PETRI (FI) 1999-06-15 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 (3 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-11986471-B2 Compounds and methods of use XDH, F12, LPXN ESR2 1084/4885ESR1 791/4885ABHD6 3657/4885
US-11077101-B1 Compounds and methods of use XDH, F12, LPXN ESR2 1084/4885ESR1 791/4885ABHD6 3657/4885
US-20230060499-A1 COMPOUNDS AND METHODS OF USE XDH, F12, LPXN ESR2 1084/4885ESR1 791/4885ABHD6 3657/4885

“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.