SCHEMBL17033309

SCHEMBL17033309

Cc1cccc2cnn(C3CCCCO3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.46
CYP4A11 Q02928 4/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
ADRA2A P08913 2/20 0.40
ATR Q13535 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RET P07949 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL31358026 0.84 ALDH1A1 (0.44) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL30301952 0.84 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL23458850 0.84 ALDH1A1 (0.44) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL30828321 0.84 ALDH1A1 (0.44) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL28811801 0.83 ALDH1A1 (0.41) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL17031838 0.83 ALDH1A1 (0.41) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL31162371 0.82 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL29263396 0.82 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL23481980 0.81 ALDH1A1 (0.41) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL24842264 0.80 RXRA (0.41) CYP4F2CYP4A11ALDH1A1LMNAPOLB

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-20190185498-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-06-20 US disclosed
US-9758537-B2 Compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS (US) 2017-09-12 US disclosed
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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 (2 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-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH CYP4F2 2181/4885CYP4A11 3669/4885ALDH1A1 2261/4885
US-20190185498-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 CYP4F2 524/4885CYP4A11 2520/4885ALDH1A1 1886/4885

“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.