SCHEMBL3387780

SCHEMBL3387780

Cc1cccc(NC(=O)C2CC(C(=O)Nc3cccc(C)n3)CC(C(=O)Nc3cccc(C)n3)C2)n1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.64
HPGD P15428 1/20 0.64
GRM5 P41594 4/20 0.57
SMN1; SMN2 Q16637 6/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 2/20 0.54
GBA1 P04062 2/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 2/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL3387781 1.00 RAB9A (0.64) RAB9AHPGDGRM5SMN1; SMN2MEN1
SCHEMBL3387787 1.00 RAB9A (0.64) RAB9AHPGDGRM5SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL30585970 0.84 RAB9A (0.57) RAB9AHPGDGRM5SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL21640813 0.84 RAB9A (0.57) RAB9AHPGDGRM5SMN1; SMN2MEN1
SCHEMBL18549447 0.78 RAB9A (0.57) RAB9AHPGDGRM5SMN1; SMN2MEN1
SCHEMBL18549446 0.78 RAB9A (0.57) RAB9AHPGDGRM5SMN1; SMN2MEN1
SCHEMBL31725239 0.78 RAB9A (0.78) RAB9AGRM5SMN1; SMN2MEN1KMT2A
SCHEMBL14353530 0.78 RAB9A (1.00) RAB9AGRM5SMN1; SMN2MEN1KMT2A
SCHEMBL3119185 0.78 RAB9A (0.78) RAB9AGRM5SMN1; SMN2MEN1KMT2A
SCHEMBL21222380 0.78 SMN1; SMN2 (0.57) RAB9AHPGDSMN1; SMN2KMT2ANPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716472-B2 Tripodal cyclohexane derivatives and their use as carbohydrate receptors UNIVERSITY OF ROCHESTER (US) 2014-05-06 US disclosed
US-8716472-B2 Tripodal cyclohexane derivatives and their use as carbohydrate receptors UNIVERSITY OF ROCHESTER (US) 2014-05-06 US disclosed
US-8716472-B2 Tripodal cyclohexane derivatives and their use as carbohydrate receptors UNIVERSITY OF ROCHESTER (US) 2014-05-06 US disclosed
US-20100041568-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS UNIVERSITY OF ROCHESTER (US) 2010-02-18 US disclosed
US-20100041568-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS UNIVERSITY OF ROCHESTER (US) 2010-02-18 US disclosed
US-20100041568-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS UNIVERSITY OF ROCHESTER (US) 2010-02-18 US disclosed
WO-2008048967-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS UNIVERSITY OF ROCHESTER (US) 2008-04-24 WO 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-20100041568-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS CA14, HCAR1, CCKAR RAB9A 4661/4885HPGD 3154/4885GRM5 1234/4885

“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.