SCHEMBL20175206

SCHEMBL20175206

Clc1ccc2c(c1)C1(c3ccccc3-c3ccc(Br)cc31)c1sc3ccccc3c1-2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.36
KDM4E B2RXH2 2/20 0.35
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
GAA P10253 2/20 0.31
JAK2 O60674 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL20174702 0.93 PDK2 (0.41) PDK2KDM4EGAAMGAMSI
SCHEMBL18034376 0.83 KDM4E (0.37) PDK2KDM4EAKR1A1AKR1B1
SCHEMBL20175213 0.82 PDK2 (0.36) PDK2KDM4EAKR1A1AKR1B1
SCHEMBL20174740 0.82 GPR3 (0.40) KDM4EGAAALDH1A1
SCHEMBL21922833 0.80 PDK2 (0.49) PDK2KDM4EAKR1A1AKR1B1
SCHEMBL22106372 0.80 PDK2 (0.49) PDK2KDM4EAKR1A1AKR1B1
SCHEMBL29571230 0.80 PDK2 (0.49) PDK2KDM4EAKR1A1AKR1B1
SCHEMBL29501064 0.80 PDK2 (0.49) PDK2KDM4EAKR1A1AKR1B1
SCHEMBL28757788 0.79 PDK2 (0.47) PDK2KDM4EAKR1A1AKR1B1ALDH1A1
SCHEMBL27619502 0.79 PDK2 (0.47) PDK2KDM4EAKR1A1AKR1B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3360868-B1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2023-09-20 EP disclosed
US-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, NR2E3, ALDH1A2 PDK2 580/4885KDM4E 3539/4885AKR1A1 493/4885

“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.