SCHEMBL21037640

SCHEMBL21037640

Clc1ccccc1-c1ccc2sc3ccccc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.48
PRSS12 P56730 1/20 0.46
ALOX5 P09917 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
CYP2A6 P11509 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TNKS2 Q9H2K2 1/20 0.40
BACE1 P56817 1/20 0.40
TRPA1 O75762 1/20 0.40
SLC9A1 P19634 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL21283018 0.87 GPR3 (0.58) GPR3ALOX5KDM4EALDH1A1MAPT
SCHEMBL18732168 0.86 ALOX5 (0.43) GPR3PRSS12ALOX5JAK2JAK1
SCHEMBL22057993 0.85 KDM4E (0.51) GPR3PRSS12ALOX5KDM4EALDH1A1
SCHEMBL27018487 0.85 ALOX5 (0.43) GPR3PRSS12ALOX5JAK2JAK1
SCHEMBL22057998 0.83 GPR3 (0.41) GPR3PRSS12ALOX5JAK2JAK1
SCHEMBL16904388 0.82 GPR3 (0.52) GPR3ALOX5KDM4EALDH1A1MAPT
SCHEMBL14733787 0.82 GPR3 (0.52) GPR3ALOX5KDM4EALDH1A1MAPT
SCHEMBL27018521 0.82 CYP2A6 (0.41) GPR3PRSS12ALOX5CYP2A6KDM4E
SCHEMBL15836057 0.81 GPR3 (0.67) GPR3ALOX5KDM4EALDH1A1MAPT
SCHEMBL20706794 0.81 GPR3 (0.67) GPR3ALOX5KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11832513-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2023-11-28 US disclosed
US-11832513-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2023-11-28 US disclosed
EP-4242286-A2 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2023-09-13 EP disclosed
EP-3714022-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-07 EP disclosed
WO-2021261851-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2021-12-30 WO disclosed
WO-2021060723-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-04-01 WO disclosed
US-20200303654-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-09-24 US disclosed
WO-2019101719-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-05-31 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 (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-11832513-B2 Materials for electronic devices PNMT, DDT, COMT GPR3 3784/4885PRSS12 2900/4885ALOX5 2153/4885
US-20200303654-A1 MATERIALS FOR ELECTRONIC DEVICES PNMT, DDT, COMT GPR3 3784/4885PRSS12 2900/4885ALOX5 2153/4885

“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.