SCHEMBL17033019

SCHEMBL17033019

CC1(N2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CASP3 P42574 1/20 0.42
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
NOTUM Q6P988 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10881713 0.82 CYP1A2 (0.40) ALDH1A1CASP3HTR2AHTR2CHTR2B
SCHEMBL19385829 0.79 KMT2A (0.38) ALDH1A1CASP3CYP1A2CYP2C9CYP2C19
SCHEMBL24343596 0.78 CASP3 (0.42) ALDH1A1CASP3HTR2AHTR2CHTR2B
SCHEMBL20231627 0.77 DDB1 (0.43) ALDH1A1CASP3HTR2AHTR2CHTR2B
SCHEMBL17031707 0.74 ALDH1A1 (0.39) ALDH1A1CASP3POLBKDM4EHPGD
SCHEMBL17169674 0.71 CRBN (0.72) ALDH1A1CYP1A2DDB1CRBN
SCHEMBL5515897 0.71 CRBN (0.72) ALDH1A1CYP1A2DDB1CRBN
SCHEMBL9884615 0.71 DDB1 (0.44) ALDH1A1CASP3NOTUMCYP1A2CYP2C9
SCHEMBL17552856 0.71 CRBN (0.72) ALDH1A1CYP1A2DDB1CRBN
SCHEMBL30058601 0.71 ALDH1A1 (0.46) ALDH1A1CASP3CYP1A2CYP2C9CYP2C19

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-9758537-B2 Compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS (US) 2017-09-12 US disclosed
US-9726933-B2 Liquid-crystal displays and liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-08-08 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 (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-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH ALDH1A1 2261/4885CASP3 594/4885HTR2A 4551/4885

“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.