SCHEMBL6939830

SCHEMBL6939830

CCC(O)Cc1ccccc1O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.48
TSHR P16473 3/20 0.45
CYP2D6 P10635 3/20 0.43
HIF1A Q16665 1/20 0.43
HTR1A P08908 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
AKR1B1 P15121 1/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
IDO1 P14902 2/20 0.41
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CYP3A4 P08684 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
MGLL Q99685 1/20 0.40
CA9 Q16790 1/20 0.39

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
SCHEMBL15178323 0.84 HSPA5 (0.45) HSPA5TSHRCYP2D6HIF1AHTR1A
SCHEMBL23153080 0.83 TSHR (0.50) HSPA5TSHRCYP2D6HIF1AHTR1A
SCHEMBL3959615 0.83 TSHR (0.50) HSPA5TSHRCYP2D6HIF1AHTR1A
SCHEMBL1548303 0.82 TRPA1 (0.42) HSPA5TSHRMAPK1CA12CA2
SCHEMBL565137 0.81 HSPA5 (0.50) HSPA5TSHRCYP2D6HIF1ATAAR1
SCHEMBL9308109 0.80 HTR1A (0.49) HSPA5TSHRCYP2D6HIF1AHTR1A
SCHEMBL14271048 0.80 HTR1A (0.49) HSPA5TSHRCYP2D6HIF1AHTR1A
SCHEMBL8349103 0.79 TAAR1 (0.42) CYP2D6TAAR1CYP3A4SLC6A2SLC6A4
SCHEMBL4232504 0.79 HSPA5 (0.48) HSPA5TSHRCYP2D6HIF1AHTR1A
SCHEMBL6424581 0.79 TAAR1 (0.42) CYP2D6TAAR1CYP3A4SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101909592-B External preparation for skin KAO CORP 2013-01-30 CN disclosed
CN-101909586-B Skin external preparation for acne skin KAO CORP 2013-01-02 CN disclosed
CN-101909586-A Skin external preparation for acne skin KAO CORP 2010-12-08 CN disclosed
CN-101909592-A External preparation for skin KAO CORP 2010-12-08 CN disclosed
US-20040076690-A1 Compositions for weight loss with improved taste KANEBO, LTD. (JP) 2004-04-22 US disclosed
JP-2003342223-A CLATHRATE COMPOUND AND COMPOSITION CONTAINING THE SAME KANEBO LTD 2003-12-03 JP disclosed
US-4129413-A Oxidation hair dyes based upon tetraaminopyrimidine developers and mono- and dialkyl -m- dihydroxy benzene couplers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1978-12-12 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-20040076690-A1 Compositions for weight loss with improved taste FABP4, FABP6, TAS2R60 HSPA5 1999/4885TSHR 2549/4885CYP2D6 4530/4885

“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.