SCHEMBL1472174

SCHEMBL1472174

CCCCOC(=O)C1(C(=O)CBr)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.41
FAAH O00519 2/20 0.41
TSHR P16473 3/20 0.39
HPGD P15428 1/20 0.39
ESR1 P03372 4/20 0.38
HCAR2 Q8TDS4 1/20 0.37
NAAA Q02083 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
EPHX1 P07099 1/20 0.34
MAPK1 P28482 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR1H2 P55055 1/20 0.34
RNASEL Q05823 1/20 0.34

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
SCHEMBL9017765 0.87 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDESR1
SCHEMBL3104104 0.81 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDESR1
SCHEMBL1473948 0.81 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDESR1
SCHEMBL1471450 0.81 ALDH1A1 (0.37) ALDH1A1ATMTSHRHPGDESR1
SCHEMBL374026 0.81 ALDH1A1 (0.46) ALDH1A1ATMLMNASMN1; SMN2POLB
SCHEMBL16086360 0.81 NAAA (0.50) ALDH1A1ATMFAAHTSHRHCAR2
SCHEMBL6058609 0.79 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDESR1
SCHEMBL17812787 0.79 NAAA (0.53) ALDH1A1FAAHTSHRHCAR2NAAA
SCHEMBL17812746 0.79 NAAA (0.53) ALDH1A1FAAHTSHRHCAR2NAAA
SCHEMBL17812506 0.79 NAAA (0.53) ALDH1A1FAAHTSHRHCAR2NAAA

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-7915242-B2 eczema, hypercalcemia, hyperparathyroidism, sarcoidosis, or vitamin D intoxication WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-03-29 US disclosed
US-7915242-B2 eczema, hypercalcemia, hyperparathyroidism, sarcoidosis, or vitamin D intoxication WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-03-29 US disclosed
US-7915242-B2 eczema, hypercalcemia, hyperparathyroidism, sarcoidosis, or vitamin D intoxication WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-03-29 US disclosed
US-20050182033-A1 Vitamin D receptor antagonists and their use in treating asthma WISCONSIN ALUMNI RESEARCH FOUNDATION 2005-08-18 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 (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-20050182033-A1 Vitamin D receptor antagonists and their use in treating asthma VDR, CYP2R1, CYP24A1 ALDH1A1 2708/4885ATM 4776/4885FAAH 1173/4885

“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.