SCHEMBL5547437

SCHEMBL5547437

C=CCc1cccc(C)c1OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
GAA P10253 1/20 0.38
SCN4A P35499 5/20 0.35
LMNA P02545 2/20 0.35
SCN1A P35498 2/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
NFKB1 P19838 2/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
KCNK3 O14649 1/20 0.35
CACNA1F O60840 1/20 0.35
KCNK2 O95069 1/20 0.35

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
SCHEMBL10790494 0.82 GABRA1 (0.44) GABRA1GABRB2ADRA2AADRA2BADRA2C
SCHEMBL1010572 0.82 GABRA1 (0.46) GABRA1GABRB2ADRA2AADRA2BADRA2C
SCHEMBL28307193 0.81 GABRA1 (0.43) GABRA1GABRB2ADRA2AADRA2BADRA2C
SCHEMBL5586090 0.78 GABRA1 (0.41) GABRA1GABRB2ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL27436289 0.77 ADRA2A (0.41) GABRA1GABRB2ADRA2AADRA2BADRA2C
SCHEMBL8997142 0.77 ADRA2A (0.41) GABRA1GABRB2ADRA2AADRA2BADRA2C
SCHEMBL18800169 0.77 HTR1D (0.34) CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16170099 0.75 SCN4A (0.43) GABRA1GABRB2SCN4ALMNASCN1A
SCHEMBL9715056 0.74 KDM4E (0.51) GABRA1GABRB2GAALMNATSHR
SCHEMBL985213 0.74 TSHR (0.44) GABRA1GABRB2ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242221-B2 Half-metallocene catalyst compositions and their polymer products CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2012-08-14 US disclosed
US-20120108764-A1 HALF-METALLOCENE CATALYST COMPOSITIONS AND THEIR POLYMER PRODUCTS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2012-05-03 US disclosed
US-8110640-B2 Half-metallocene catalyst compositions and their polymer products CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2012-02-07 US disclosed
US-8110640-B2 Half-metallocene catalyst compositions and their polymer products CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2012-02-07 US disclosed
US-20110065874-A1 HALF-METALLOCENE CATALYST COMPOSITIONS AND THEIR POLYMER PRODUCTS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-03-17 US disclosed
US-20110065874-A1 HALF-METALLOCENE CATALYST COMPOSITIONS AND THEIR POLYMER PRODUCTS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-03-17 US disclosed
US-7884165-B2 polymerization coordination catalysts comprising metal complex of zirconium, titanium, or hafnium having (substituted) cyclopentadienyl, indenyl, and/or fluorenyl groups; and organoaluminum halide, hydride and/or hydroxide; fluorided alumina-silica catalyst support CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-02-08 US disclosed
US-7884165-B2 polymerization coordination catalysts comprising metal complex of zirconium, titanium, or hafnium having (substituted) cyclopentadienyl, indenyl, and/or fluorenyl groups; and organoaluminum halide, hydride and/or hydroxide; fluorided alumina-silica catalyst support CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-02-08 US disclosed
US-20100010174-A1 HALF-METALLOCENE CATALYST COMPOSITIONS AND THEIR POLYMER PRODUCTS CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2010-01-14 US disclosed
US-20100010174-A1 HALF-METALLOCENE CATALYST COMPOSITIONS AND THEIR POLYMER PRODUCTS CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2010-01-14 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 (1 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-20100010174-A1 HALF-METALLOCENE CATALYST COMPOSITIONS AND THEIR POLYMER PRODUCTS POLM, OPRM1, AP2M1 GABRA1 3555/4885GABRB2 3836/4885ADRA2A 4353/4885

“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.