SCHEMBL2021270

SCHEMBL2021270

CCc1ccccc1C(C)C(C)c1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.57
▸ GABRA1 P14867 3/20 0.52
▸ GABRB2 P47870 3/20 0.52
▸ POLB P06746 2/20 0.42
▸ HSPA5 P11021 1/20 0.40
▸ AKR1B1 P15121 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ PTPN2 P17706 2/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ MAPK1 P28482 1/20 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
SCHEMBL2022256 0.86 TSHR (0.50) TSHRGABRA1GABRB2POLBHSPA5
SCHEMBL1844737 0.86 TSHR (0.46) TSHRGABRA1GABRB2POLBHSPA5
SCHEMBL2022049 0.85 TSHR (0.53) TSHRGABRA1GABRB2POLBHSPA5
SCHEMBL6680874 0.85 TSHR (0.57) TSHRGABRA1GABRB2POLBHSPA5
SCHEMBL11597764 0.83 GABRA1 (0.71) TSHRGABRA1GABRB2POLBPTPN2
SCHEMBL2023591 0.82 TSHR (0.50) TSHRGABRA1GABRB2
SCHEMBL2019657 0.81 TSHR (0.41) TSHRGABRA1GABRB2POLBOPRM1
SCHEMBL2025112 0.81 TSHR (0.49) TSHRGABRA1GABRB2POLBPTPN2
SCHEMBL2023692 0.81 CYSLTR2 (0.49) TSHRGABRA1GABRB2ALOX15HTT
SCHEMBL28234484 0.81 GABRA1 (0.69) TSHRGABRA1GABRB2POLBHSPA5

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.

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