SCHEMBL7270519

SCHEMBL7270519

CC1(C)Oc2cc(Br)c(Br)cc2O1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
AHR P35869 8/20 0.48
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KIF11 P52732 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10575187 0.85 TSHR (0.56) TSHRAHRCYP1A2CYP2C9CYP2C19
SCHEMBL30970438 0.85 TSHR (0.56) TSHRAHRCYP1A2CYP2C9CYP2C19
SCHEMBL31393013 0.84 TSHR (0.54) TSHRAHRCYP1A2CYP2C9CYP2C19
SCHEMBL31085108 0.84 TSHR (0.54) TSHRAHRCYP1A2CYP2C9CYP2C19
SCHEMBL7519328 0.82 TSHR (1.00) TSHRCYP1A2CYP2C9CYP2C19KIF11
SCHEMBL17171671 0.77 TSHR (0.77) TSHRCYP1A2CYP2C9CYP2C19KIF11
SCHEMBL361525 0.75 TSHR (0.56) TSHRAHRCYP1A2CYP2C9CYP2C19
SCHEMBL1752066 0.72 AHR (0.48) TSHRAHRKIF11NPC1RAB9A
Hydrochloric Acid SCHEMBL9873251 0.70 TSHR (0.65) TSHRCYP1A2CYP2C9CYP2C19KIF11
SCHEMBL8387152 0.69 TSHR (0.43) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030134824-A1 Beta-cyclodextrin dimers and phthalocyanines and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-07-17 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-20030134824-A1 Beta-cyclodextrin dimers and phthalocyanines and uses thereof CRY2, CRY1, HCCS TSHR 4690/4885AHR 1218/4885CYP1A2 1617/4885

“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.