SCHEMBL20458052

SCHEMBL20458052

CCCCCC(C)(CCC)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.42
▸ ESR2 Q92731 3/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.38
▸ CNR2 P34972 7/20 0.38
▸ CNR1 P21554 5/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ NOS1 P29475 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
SCHEMBL21654074 0.98 ESR1 (0.41) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL22024340 0.83 MEN1 (0.41) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL22955761 0.82 ESR1 (0.46) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL21549391 0.82 HDAC3 (0.45) ESR1ESR2LMNACNR2CNR1
SCHEMBL21185893 0.81 ESR1 (0.39) ESR1ESR2LMNASMN1; SMN2CNR2
SCHEMBL19965676 0.81 CNR2 (0.40) ESR1ESR2CNR2CNR1
SCHEMBL21695082 0.80 CNR2 (0.39) ESR1ESR2LMNASMN1; SMN2CNR2
SCHEMBL19592942 0.80 SMN1; SMN2 (0.41) ESR1ESR2MEN1KMT2ASMN1; SMN2
SCHEMBL20097921 0.79 CNR2 (0.42) ESR1ESR2CNR2CNR1
SCHEMBL18494777 0.79 CNR2 (0.58) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771677-B2 Immunomodulating urea azalides ZOETIS SERVICES LLC (US) 2023-10-03 — — US disclosed
US-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-01-21 — — US disclosed
US-10040766-B2 Ubiquitination inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-08-07 — — 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-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF GART, BROX, APRT ESR1 4877/4885ESR2 4860/4885MEN1 1002/4885
US-11771677-B2 Immunomodulating urea azalides ARG1, IL2, CD209 ESR1 3811/4885ESR2 2535/4885MEN1 1099/4885
US-10040766-B2 Ubiquitination inhibitors MDM2, RBX1, NEDD4 ESR1 549/4885ESR2 922/4885MEN1 2624/4885

“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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