SCHEMBL20175213

SCHEMBL20175213

Clc1ccc2c(c1)C1(c3ccccc3-c3ccc(Br)cc31)c1c-2sc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.36
KDM4E B2RXH2 1/20 0.35
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
NPY1R P25929 1/20 0.31
TDO2 P48775 1/20 0.30
MAOB P27338 2/20 0.30
MAOA P21397 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
SCHEMBL18582210 0.93 PDK2 (0.40) PDK2TDO2MAOBMAOA
SCHEMBL20175206 0.82 PDK2 (0.36) PDK2KDM4EAKR1A1AKR1B1
SCHEMBL18590067 0.81 PDK2 (0.34) PDK2
SCHEMBL17533936 0.81 GPR3 (0.40) KDM4E
SCHEMBL23593201 0.80 KDM4E (0.39) PDK2KDM4ENPY1RMAOB
SCHEMBL22106372 0.79 PDK2 (0.49) PDK2KDM4EAKR1A1AKR1B1
SCHEMBL29501064 0.79 PDK2 (0.49) PDK2KDM4EAKR1A1AKR1B1
SCHEMBL21922833 0.79 PDK2 (0.49) PDK2KDM4EAKR1A1AKR1B1
SCHEMBL29571230 0.79 PDK2 (0.49) PDK2KDM4EAKR1A1AKR1B1
SCHEMBL19168702 0.78 PDK2 (0.47) PDK2AKR1A1AKR1B1

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.