SCHEMBL8253237

SCHEMBL8253237

COc1cc(C(C)(C)C)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
BLM P54132 1/20 0.51
ALDH1A1 P00352 3/20 0.51
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49

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
SCHEMBL12622630 0.94 SMPD1 (0.53) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL19483249 0.92 MRGPRX4 (0.55) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL12251439 0.86 KDM4E (0.53) HPGDSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL12251438 0.86 KDM4E (0.53) HPGDSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL17106561 0.84 NPC1 (0.49) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL12295554 0.84 MRGPRX4 (0.68) RAB9ASMN1; SMN2KDM4EMRGPRX4ALDH1A1
SCHEMBL22387608 0.84 KMT2A (0.56) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL12024746 0.83 MRGPRX4 (0.56) RAB9ASMN1; SMN2KDM4EMRGPRX4CYP2C9
SCHEMBL12772068 0.83 MRGPRX4 (0.52) RAB9ASMN1; SMN2MRGPRX4RXRARXRB
SCHEMBL12303223 0.82 MRGPRX4 (0.47) NPC1RAB9AHPGDSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202410-B2 Scaphopetalone analogs and their uses BRIGHAM YOUNG UNIVERSITY (US) 2019-02-12 US disclosed
US-20170152280-A1 SCAPHOPETALONE ANALOGS AND THEIR USES BRIGHAM YOUNG UNIVERSITY 2017-06-01 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 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-10202410-B2 Scaphopetalone analogs and their uses MUSK, SHBG, CYP17A1 NPC1 4089/4885RAB9A 2146/4885HPGD 1683/4885
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A NPC1 1354/4885RAB9A 2212/4885HPGD 547/4885
US-20170152280-A1 SCAPHOPETALONE ANALOGS AND THEIR USES MUSK, SHBG, CYP17A1 NPC1 4089/4885RAB9A 2146/4885HPGD 1683/4885

“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.