SCHEMBL2164574

SCHEMBL2164574

CCC(C)(CC)C(Br)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL7280628 0.80 ALDH1A1 (0.39) ALDH1A1THRBRECQLLCKPPARD
SCHEMBL20143792 0.74 CHRM1 (0.36) ALDH1A1CYP2C19TSHRCHRM1AKR1A1
SCHEMBL3640221 0.74 CHRM1 (0.36) ALDH1A1CYP2C19TSHRCHRM1AKR1A1
SCHEMBL45523 0.73
SCHEMBL30170231 0.73
SCHEMBL11290734 0.73 ALDH1A1 (0.44) ALDH1A1THRBRECQLLCKPPARD
SCHEMBL8277201 0.72 CPT2 (0.38) ALDH1A1TSHRCHRM1AKR1A1CHRM3
Ammonia Solution, Strong SCHEMBL10585168 0.72 TDP1 (0.35) ALDH1A1TSHRCHRM1AKR1A1CHRM3
SCHEMBL3238289 0.72 LCK (0.31) LCKPPARDZDHHC20ZDHHC2
Hydrochloric Acid SCHEMBL11288648 0.70 ALDH1A1 (0.42) ALDH1A1THRBRECQLLCKPPARD

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-7985744-B2 Administering 9,10-secopregna-5,7,10(19),16- tetraene derivative to a patient for treating skin diseases such as psoriasis CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed
US-20040019023-A1 Vitamin d derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-29 US disclosed
EP-1295871-A1 VITAMIN D DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-26 EP 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-20040019023-A1 Vitamin d derivatives VDR, CYP24A1, CYP2R1 ALDH1A1 1023/4885THRB 1243/4885RECQL 3932/4885

“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.