SCHEMBL9114061

SCHEMBL9114061

C=CCC(C(=O)OC)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.67
KMT2A Q03164 4/20 0.53
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
OPRD1 P41143 1/20 0.40

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
SCHEMBL23688606 0.85 CYP2C19 (0.65) CYP2C19KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL8669701 0.85 CYP2C19 (0.65) CYP2C19KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL23688603 0.85 CYP2C19 (0.65) CYP2C19KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL20274587 0.85 KMT2A (0.59) CYP2C19KMT2AESR1ESR2MEN1
SCHEMBL3168058 0.85 KMT2A (0.59) CYP2C19KMT2AESR1ESR2MEN1
SCHEMBL17731413 0.84 KMT2A (0.50) CYP2C19KMT2AESR1ESR2MEN1
SCHEMBL6848701 0.84 LTA4H (0.52) CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL14445158 0.82 CYP2C19 (0.45) CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL8720943 0.82 ALDH1A1 (0.46) CYP2C19KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL14445142 0.82 CPN1 (0.51) CYP2C19KMT2AESR1ESR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932601-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2024-03-19 US disclosed
EP-4332135-A1 METHOD FOR PREPARING POLYMER, AND OBTAINED POLYMER CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2024-03-06 EP disclosed
US-20220274926-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2022-09-01 US disclosed
US-11242319-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2022-02-08 US disclosed
US-11242319-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2022-02-08 US disclosed
US-20190092729-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2019-03-28 US disclosed
US-20190092729-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2019-03-28 US disclosed
EP-3215141-A2 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-09-13 EP disclosed
WO-2016073738-A2 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 WO disclosed
WO-2016073738-A2 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 WO disclosed
WO-1995011880-A1 SUBSTITUTED AMIDES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-05-04 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 (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-11242319-B2 Immunoregulatory agents IDO1, IDO2, INMT CYP2C19 3094/4885KMT2A 1557/4885ESR1 3892/4885
US-20190092729-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT CYP2C19 3094/4885KMT2A 1557/4885ESR1 3892/4885
US-11932601-B2 Immunoregulatory agents IDO1, IDO2, INMT CYP2C19 3094/4885KMT2A 1557/4885ESR1 3892/4885
US-20220274926-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT CYP2C19 3094/4885KMT2A 1557/4885ESR1 3892/4885

“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.