SCHEMBL1703264

SCHEMBL1703264

CC(C)(C)C(=O)[C@H](Cc1ccccc1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
CYP1A2 P05177 1/20 0.47
CYP24A1 Q07973 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TRPA1 O75762 2/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
POLB P06746 2/20 0.43
ALPL P05186 1/20 0.43
ALPG P10696 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
MDM2 Q00987 1/20 0.43
CPA1 P15085 2/20 0.42
CPA3 P15088 2/20 0.42
FOLH1 Q04609 1/20 0.42

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
SCHEMBL1706267 1.00 MAPT (0.49) MAPTCYP1A2CYP24A1NPC1RAB9A
SCHEMBL15426321 0.85 CYP1A2 (0.55) MAPTCYP1A2NPC1RAB9ATRPA1
SCHEMBL66965 0.85 CYP1A2 (0.55) MAPTCYP1A2NPC1RAB9ATRPA1
SCHEMBL1704939 0.84 ESR1 (0.46) MAPTSLC7A5BLM
SCHEMBL20363221 0.83 ALPI (0.50) CYP1A2NPC1RAB9ATRPA1ALPI
SCHEMBL12650596 0.83 ALPI (0.50) CYP1A2NPC1RAB9ATRPA1ALPI
SCHEMBL1705697 0.82 TSHR (0.50) CYP1A2CYP24A1NPC1RAB9APOLB
SCHEMBL1703204 0.82 TSHR (0.50) CYP1A2CYP24A1NPC1RAB9APOLB
SCHEMBL9692685 0.81 CYP1A2 (0.47) MAPTCYP1A2NPC1RAB9ATRPA1
SCHEMBL15426320 0.81 EPHX1 (0.53) CYP1A2NPC1RAB9ATRPA1ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2015-12-24 US disclosed
US-9040531-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2015-05-26 US disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 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 (3 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-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO MAPT 1638/4885CYP1A2 3371/4885CYP24A1 750/4885
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO MAPT 1638/4885CYP1A2 3371/4885CYP24A1 750/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO MAPT 1638/4885CYP1A2 3371/4885CYP24A1 750/4885

“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.