SCHEMBL857006

SCHEMBL857006

O=Cc1ccc(COC2CCCCO2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4C Q9H3R0 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ SELE P16581 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CREBBP Q92793 2/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL27929604 0.80 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL854901 0.76 MEN1 (0.43) ALDH1A1TSHRMEN1KMT2AICAM1
SCHEMBL31073145 0.74 ICAM1 (0.42) ALDH1A1MEN1KMT2AKDM4CL3MBTL1
SCHEMBL856221 0.74 MEN1 (0.38) ALDH1A1MEN1KMT2AKDM4CL3MBTL1
SCHEMBL28270941 0.71 MEN1 (0.38) ALDH1A1MEN1KMT2AKDM4CL3MBTL1
SCHEMBL14768555 0.71 USP2 (0.43) ALDH1A1TSHRMEN1KMT2AKDM4C
SCHEMBL8127296 0.70 KDM4C (0.42) MEN1KMT2AKDM4CL3MBTL1ICAM1
SCHEMBL15361109 0.70 KDM4C (0.47) ALDH1A1MEN1KMT2AKDM4CL3MBTL1
SCHEMBL6462313 0.69 MEN1 (0.39) MEN1KMT2AKDM4CL3MBTL1ICAM1
SCHEMBL26668996 0.69 MEN1 (0.37) MEN1KMT2AKDM4CL3MBTL1ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113543782-B Pharmaceutical composition for preventing hair whitening and preventing or treating leukotrichia or vitiligo 仁荷大学校产学协力团 2024-01-16 — — CN disclosed
CN-113543782-A Pharmaceutical composition for preventing hair from whitening and preventing or treating leukotrichia or vitiligo 仁荷大学校产学协力团 2021-10-22 — — CN disclosed
WO-2020159146-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING GREYING OF HAIR AND PREVENTING OR TREATING POLIOSISOR VITILIGO 인하대학교 산학협력단 2020-08-06 — — WO disclosed
WO-2020159146-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING GREYING OF HAIR AND PREVENTING OR TREATING POLIOSISOR VITILIGO 인하대학교 산학협력단 2020-08-06 — — WO disclosed
EP-2440555-B1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-05-18 — — EP disclosed
US-8580831-B2 Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 — — US disclosed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 — — US disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 — — EP disclosed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 — — US disclosed
US-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 — — US disclosed
EP-2440555-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 — — EP disclosed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 — — EP disclosed
WO-2010143116-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 — — WO disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 — — WO 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 (2 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-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 ALDH1A1 1293/4885TSHR 767/4885MEN1 4630/4885
US-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES AFF1, SULT2A1, NAT1 ALDH1A1 235/4885TSHR 33/4885MEN1 854/4885

“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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