SCHEMBL1705697

SCHEMBL1705697

CC(C)(C)C(=O)[C@@H](CCc1ccccc1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 1/20 0.47
PRSS1 P07477 1/20 0.46
CTSG P08311 1/20 0.46
CTRB1 P17538 1/20 0.46
CMA1 P23946 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
ACP3 P15309 1/20 0.44

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
SCHEMBL1703204 1.00 TSHR (0.50) TSHRSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL20363288 0.90 POLB (0.50) SMN1; SMN2POLB
SCHEMBL13481207 0.86 TSHR (0.57) TSHRSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL20363269 0.85 TSHR (0.49) TSHRSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9160111 0.83 TSHR (0.50) TSHRSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL1703264 0.82 MAPT (0.49) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL1706267 0.82 MAPT (0.49) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL1709285 0.81 TSHR (0.49) TSHRSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL24024021 0.78 TSHR (0.49) TSHRSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL25070896 0.78 TSHR (0.49) TSHRSMN1; SMN2NPC1RAB9AKMT2A

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 4 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-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 TSHR 3526/4885SMN1; SMN2 1774/4885NPC1 1968/4885
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO TSHR 3526/4885SMN1; SMN2 1774/4885NPC1 1968/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO TSHR 3526/4885SMN1; SMN2 1774/4885NPC1 1968/4885

“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.