SCHEMBL2021180

SCHEMBL2021180

CCc1cccc(CC(C)c2ccccc2O)c1CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
GABRA1 P14867 4/20 0.43
GABRB2 P47870 3/20 0.43
HTT P42858 1/20 0.38
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
HSPA5 P11021 1/20 0.33

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
SCHEMBL2022485 0.92 TSHR (0.58) TSHRGABRA1GABRB2HTTPOLB
SCHEMBL1841288 0.88 TSHR (0.41) TSHRGABRA1GABRB2HTTPOLB
SCHEMBL1955348 0.88 TSHR (0.47) TSHRGABRA1GABRB2HTTPOLB
SCHEMBL2022076 0.87 TSHR (0.63) TSHRGABRA1GABRB2HTTPOLB
SCHEMBL1953475 0.86 TSHR (0.42) TSHRGABRA1GABRB2HTTPOLB
SCHEMBL1952614 0.84 TSHR (0.47) TSHRGABRA1GABRB2HTTPOLB
SCHEMBL7950209 0.84 TSHR (0.45) TSHRGABRA1GABRB2HTTCA12
SCHEMBL2025251 0.82 TSHR (0.53) TSHRGABRA1GABRB2POLBMAPK1
SCHEMBL1840008 0.82 TSHR (0.41) TSHRGABRA1GABRB2HTTPOLB
SCHEMBL30455902 0.81 TSHR (0.64) TSHRGABRA1GABRB2POLBMAPK1

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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH TSHR 2998/4885GABRA1 1573/4885GABRB2 1720/4885

“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.