SCHEMBL807532

SCHEMBL807532

C=C(C)c1ccc(C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
PLAU P00749 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
XIAP P98170 1/20 0.36
BIRC2 Q13490 1/20 0.36
METAP2 P50579 1/20 0.34
P4HTM Q9NXG6 2/20 0.34

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
SCHEMBL13961656 0.82 CCR1 (0.46) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL16352629 0.80 ADRA2A (0.47) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL23416502 0.78 CCR1 (0.43) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL827893 0.77 RAB9A (0.48) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL23607218 0.77 CCR1 (0.46) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL19058127 0.77 NOS3 (0.43) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL21277696 0.77 CCR1 (0.41) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL18961388 0.77 CCR1 (0.41) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL13876346 0.76 MT-CO1 (0.39) NOS3RAB9AALDH1A1P4HTMNPC1
Hydrochloric Acid SCHEMBL247414 0.76 RAB9A (0.47) CCR1CCR5CCR8HDAC6NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230209989-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-29 US disclosed
US-20230172047-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THEREOF LG DISPLAY CO., LTD. (KR) 2023-06-01 US disclosed
US-20230055630-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-02-23 US disclosed
WO-2018119374-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF CADENT THERAPEUTICS (US) 2018-06-28 WO disclosed
US-9972783-B2 High energy triarylamine compounds for hole transport materials E I DU PONT DE NEMOURS AND COMPANY (US) 2018-05-15 US disclosed
WO-2012072933-A1 METHOD FOR COOKING IN A CARBON DIOXIDE ATMOSPHERE INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE - INRA (FR) 2012-06-07 WO disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 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-20230209989-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME DDT, L3MBTL1, LAGE3 CCR1 4846/4885CCR5 4189/4885CCR8 4652/4885
US-20230055630-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF L1CAM, KCNN4, MLX CCR1 2682/4885CCR5 915/4885CCR8 2187/4885

“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.