SCHEMBL22113045

SCHEMBL22113045

Cc1ccc(CCC2(O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.51
OPRL1 P41146 3/20 0.51
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HRH3 Q9Y5N1 1/20 0.41
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
IDO1 P14902 1/20 0.38
KCNH2 Q12809 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH1 P35367 1/20 0.37
FFAR1 O14842 1/20 0.37
TRPA1 O75762 1/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
ADRA1A P35348 2/20 0.36

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
SCHEMBL11466467 0.86 OPRM1 (0.41) OPRM1OPRL1OPRD1OPRK1CYP1A2
SCHEMBL20512444 0.79 OPRM1 (0.60) OPRM1OPRL1OPRD1OPRK1TAAR1
SCHEMBL18911954 0.78 GRIN2B (0.51) OPRM1OPRL1OPRD1OPRK1CYP1A2
SCHEMBL28914563 0.78 OPRM1 (0.69) OPRM1OPRL1OPRD1OPRK1TAAR1
SCHEMBL18911953 0.75 OPRM1 (0.44) OPRM1OPRL1OPRD1OPRK1TDP1
SCHEMBL8282802 0.74 DAO (0.42) OPRM1OPRL1OPRD1OPRK1
SCHEMBL13097331 0.73 ESR1 (0.50) OPRM1OPRL1TAAR1TDP1L3MBTL1
SCHEMBL13097377 0.73 ESR1 (0.50) OPRM1OPRL1TAAR1TDP1L3MBTL1
SCHEMBL4270075 0.72 ESR1 (0.48) OPRM1OPRL1TAAR1TDP1L3MBTL1
SCHEMBL5149397 0.72 TAAR1 (0.42) OPRM1OPRL1TAAR1IGF1RALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3381896-B1 BIPHENYL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2023-01-18 EP disclosed
US-20210177826-A1 ANTI-TUMOR EFFECT POTENTIATOR USING NOVEL BIPHENYL COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 US disclosed
US-20210179634-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 US disclosed
US-10723742-B2 Biphenyl compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-07-28 US disclosed
US-20200190175-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-06-18 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 (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-20210177826-A1 ANTI-TUMOR EFFECT POTENTIATOR USING NOVEL BIPHENYL COMPOUND KDM1B, KDM1A, DOT1L OPRM1 1947/4885OPRL1 3746/4885OPRD1 2646/4885
US-10723742-B2 Biphenyl compound or salt thereof KDM1B, BMI1, HDAC1 OPRM1 4045/4885OPRL1 4419/4885OPRD1 4496/4885
US-20200190175-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 INMT, CARM1, KDM1B OPRM1 697/4885OPRL1 3303/4885OPRD1 3659/4885
US-20210179634-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF KDM1B, KDM1A, HDAC1 OPRM1 3990/4885OPRL1 3821/4885OPRD1 4146/4885

“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.