SCHEMBL2022256

SCHEMBL2022256

CCc1cccc(C(C)C(C)c2ccccc2O)c1CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ GABRA1 P14867 5/20 0.46
▸ GABRB2 P47870 4/20 0.46
▸ HTT P42858 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ HSPA5 P11021 1/20 0.35
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ IAPP P10997 1/20 0.35
▸ ANPEP P15144 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ FAAH O00519 1/20 0.34

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
SCHEMBL2025112 0.89 TSHR (0.49) TSHRGABRA1GABRB2HTTPOLB
SCHEMBL1843993 0.87 GABRA1 (0.40) TSHRGABRA1GABRB2HTTHTR1A
SCHEMBL2021270 0.86 TSHR (0.57) TSHRGABRA1GABRB2HTTPOLB
SCHEMBL2017623 0.81 GABRA1 (0.38) TSHRGABRA1GABRB2HTTGABRG2
SCHEMBL2020882 0.81 TSHR (0.47) TSHRGABRA1GABRB2POLBHTR1A
SCHEMBL2021180 0.81 TSHR (0.56) TSHRGABRA1GABRB2HTTPOLB
SCHEMBL1955348 0.81 TSHR (0.47) TSHRGABRA1GABRB2HTTPOLB
SCHEMBL1844370 0.78 TSHR (0.38) TSHRGABRA1GABRB2HTTGABRG2
SCHEMBL2021494 0.78 TSHR (0.45) TSHRGABRA1GABRB2HTR1AIAPP
SCHEMBL11597764 0.78 GABRA1 (0.71) TSHRGABRA1GABRB2POLBGABRG2

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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