SCHEMBL17031838

SCHEMBL17031838

CC(C)(C)c1cccc2cnn(C3CCCCO3)c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
CYP4F2 P78329 6/20 0.38
CYP4A11 Q02928 6/20 0.38
ATR Q13535 7/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.33
KDM5B Q9UGL1 1/20 0.32
YTHDC1 Q96MU7 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL17033309 0.83 CYP4F2 (0.46) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL30828321 0.81 ALDH1A1 (0.44) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL23458850 0.81 ALDH1A1 (0.44) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL30301952 0.81 CYP4F2 (0.46) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL31358026 0.81 ALDH1A1 (0.44) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL28811801 0.80 ALDH1A1 (0.41) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL23481980 0.80 ALDH1A1 (0.41) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL25832866 0.78 LRRK2 (0.41)
SCHEMBL19771084 0.78 ALDH1A1 (0.38) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL24842264 0.77 RXRA (0.41) ALDH1A1LMNAPOLBRXRARXRB

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-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-11-05 US disclosed
US-9758537-B2 Compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS (US) 2017-09-12 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 ALDH1A1 2261/4885LMNA 1382/4885POLB 3581/4885
US-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders TFPI, CFD, F3 ALDH1A1 1886/4885LMNA 1587/4885POLB 4443/4885

“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.