SCHEMBL20011207

SCHEMBL20011207

COC1CCC(c2cc(C)no2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHI3L1 P36222 1/20 0.44
CHIT1 Q13231 1/20 0.44
CHI3L2 Q15782 1/20 0.44
CHIA Q9BZP6 1/20 0.44
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA7 P36544 1/20 0.44
STAT1 P42224 1/20 0.43
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
STAT3 P40763 1/20 0.37

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
SCHEMBL3154169 0.87
SCHEMBL18255919 0.80 CHI3L1 (0.40) CHI3L1CHIT1CHI3L2CHIACHRNB2
SCHEMBL12650362 0.80 CHRNB2 (0.54) CHI3L1CHIT1CHI3L2CHIACHRNB2
SCHEMBL20320351 0.80 CHRNB2 (0.54) CHI3L1CHIT1CHI3L2CHIACHRNB2
SCHEMBL18255915 0.79 CHRNB2 (0.46) CHI3L1CHIT1CHI3L2CHIACHRNB2
SCHEMBL22629065 0.79 CHRNB2 (0.46) CHI3L1CHIT1CHI3L2CHIACHRNB2
SCHEMBL20320356 0.78 CHRNB2 (0.53) CHI3L1CHIT1CHI3L2CHIACHRNB2
SCHEMBL31227308 0.75 SMYD3 (0.48) CHI3L1CHIT1CHI3L2CHIACHRNB2
Hydrochloric Acid SCHEMBL31227128 0.74 SMYD3 (0.49) CHI3L1CHIT1CHI3L2CHIACHRNB2
SCHEMBL18255923 0.74 CHRNB2 (0.45) CHI3L1CHIT1CHI3L2CHIACHRNB2

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-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 US disclosed
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 EP 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-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A CHI3L1 3937/4885CHIT1 3758/4885CHI3L2 3229/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A CHI3L1 3937/4885CHIT1 3758/4885CHI3L2 3229/4885

“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.