SCHEMBL18650797

SCHEMBL18650797

COc1cc(/C=C/c2ccc(C)cc2)cc(CO)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.56
▸ CYP1A1 P04798 5/20 0.54
▸ CYP1B1 Q16678 5/20 0.54
▸ ESR1 P03372 4/20 0.54
▸ ALOX5 P09917 4/20 0.54
▸ PTGS2 P35354 4/20 0.54
▸ NQO2 P16083 4/20 0.54
▸ TTR P02766 3/20 0.54
▸ TUBB4A P04350 3/20 0.54
▸ TUBB P07437 3/20 0.54
▸ TUBA3C P0DPH7 3/20 0.54
▸ TUBA1B P68363 3/20 0.54
▸ TUBA4A P68366 3/20 0.54
▸ TUBB4B P68371 3/20 0.54
▸ TUBB3 Q13509 3/20 0.54
▸ TUBB2A Q13885 3/20 0.54
▸ TUBB8 Q3ZCM7 3/20 0.54
▸ TUBA3E Q6PEY2 3/20 0.54
▸ TUBA1A Q71U36 3/20 0.54
▸ TUBA1C Q9BQE3 3/20 0.54

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
SCHEMBL15024181 0.91 RELA (0.56) RELACYP1A1CYP1B1ESR1ALOX5
SCHEMBL16419899 0.90 PTGS2 (0.68) RELACYP1A1CYP1B1ESR1ALOX5
SCHEMBL10012622 0.88 CYP1A1 (0.73) RELACYP1A1CYP1B1ESR1ALOX5
SCHEMBL9927130 0.84 TUBB4A (0.75) CYP1A1CYP1B1ESR1ALOX5PTGS2
SCHEMBL14665732 0.83 PTGS2 (0.62) RELACYP1A1CYP1B1ESR1ALOX5
SCHEMBL15096130 0.83 CYP1A1 (0.67) CYP1A1CYP1B1ESR1ALOX5PTGS2
SCHEMBL13984043 0.83 CYP1A1 (0.77) RELACYP1A1CYP1B1ESR1ALOX5
SCHEMBL12667489 0.83 CYP1A1 (0.77) RELACYP1A1CYP1B1ESR1ALOX5
SCHEMBL14227630 0.81 TTR (0.64) CYP1A1CYP1B1ESR1ALOX5PTGS2
SCHEMBL12729821 0.80 PTGS2 (0.80) RELACYP1A1CYP1B1ESR1ALOX5

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-20230172947-A1 METHODS AND COMPOSITIONS FOR TREATING ENDOMETRIAL CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-08 — — US disclosed
US-20180035705-A1 COMPOSITIONS PROVIDING EXTENDED ENERGY AND METHODS OF USE BLUE DRAGONFLY, INC. (US) 2018-02-08 — — US disclosed
US-20170080037-A1 Compositions for Regulation and Control of Appetite Therapeutic Solutions LLC 2017-03-23 — — 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 (2 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-20230172947-A1 METHODS AND COMPOSITIONS FOR TREATING ENDOMETRIAL CANCER HSD17B11, CYP19A1, NR5A1 RELA 1864/4885CYP1A1 1670/4885CYP1B1 543/4885
US-20170080037-A1 Compositions for Regulation and Control of Appetite FABP6, TAS2R60, TAS2R40 RELA 2866/4885CYP1A1 2990/4885CYP1B1 2733/4885

“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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