SCHEMBL19612642

SCHEMBL19612642

O=C(Cl)CCCCCC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.53
PHF8 Q9UPP1 4/20 0.53
KDM2A Q9Y2K7 4/20 0.53
KDM4C Q9H3R0 3/20 0.53
KDM4A O75164 1/20 0.53
SIGMAR1 Q99720 3/20 0.50
NAAA Q02083 2/20 0.49
EPHX1 P07099 1/20 0.44
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.43
GLA P06280 2/20 0.42
KDM7A Q6ZMT4 1/20 0.41

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
SCHEMBL9061840 1.00 KDM5A (0.53) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL9089300 1.00 KDM5A (0.53) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL384147 0.98 KDM5A (0.50) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL6521504 0.98 KDM5A (0.51) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL6519311 0.98 KDM5A (0.51) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL1283873 0.92 CYP1A2 (0.46) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL11855794 0.90 KDM5A (0.49) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL11847166 0.90 KDM5A (0.49) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL11856253 0.90 KDM5A (0.49) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL11851812 0.90 KDM5A (0.49) KDM5APHF8KDM2AKDM4CKDM4A

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
CN-107074788-B Substituted heterocyclic derivatives, preparation method and application thereof 厦门大学 2019-09-20 CN disclosed
US-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof XIAMEN UNIVERSITY (CN) 2019-01-08 US disclosed
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof XIAMEN UNIVERSITY (CN) 2017-11-23 US disclosed
CN-107074788-A Substituted heterocyclic derivatives, preparation method and application thereof 厦门大学 2017-08-18 CN 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-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof FAAH, NAAA, FAAH2 KDM5A 1211/4885PHF8 856/4885KDM2A 1729/4885
US-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof DHPS, CYP3A5, CYP3A4 KDM5A 399/4885PHF8 1174/4885KDM2A 1418/4885

“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.