SCHEMBL13878874

SCHEMBL13878874

CC(C)(C)c1ccnc(-c2cc(-c3cc(C(C)(C)C)ccn3)c(F)cc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ CCR1 P32246 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ CCR8 P51685 1/20 0.32
▸ AAK1 Q2M2I8 3/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ TGFBR1 P36897 2/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL31400262 1.00 ALOX5AP (0.45) ALOX5APALDH1A1HPGDALOX15HSD17B10
SCHEMBL1477167 0.85 ALOX5AP (0.49) ALOX5APTGFBR1KDM1AHDAC1HDAC2
SCHEMBL29463696 0.85 ALOX5AP (0.49) ALOX5APTGFBR1KDM1AHDAC1HDAC2
SCHEMBL15414984 0.84 ALOX5AP (0.38) ALOX5APMETAP2GABRA1KIF11CCR1
SCHEMBL871298 0.81 CCR1 (0.41) ALOX5APALDH1A1HPGDALOX15HSD17B10
SCHEMBL29453375 0.80 CCR1 (0.48) ALOX5APALDH1A1HPGDALOX15HSD17B10
SCHEMBL347025 0.80 CCR1 (0.48) ALOX5APALDH1A1HPGDALOX15HSD17B10
SCHEMBL29373631 0.80 CCR1 (0.48) ALOX5APALDH1A1HPGDALOX15HSD17B10
Hydrochloric Acid SCHEMBL23538061 0.78 CCR1 (0.46) ALOX5APALDH1A1HPGDALOX15HSD17B10
SCHEMBL117845 0.78 CCR1 (0.46) ALOX5APALDH1A1HPGDALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12116378-B2 Transition metal luminescent complexes and methods of use THE UNIVERSITY OF HONG KONG (CN) 2024-10-15 — — US disclosed
US-20200176691-A1 TRANSITION METAL LUMINESCENT COMPLEXES AND METHODS OF USE UNIV HONG KONG (HK) 2020-06-04 — — US disclosed
US-20200172562-A1 TRANSITION METAL LUMINESCENT COMPLEXES AND METHODS OF USE THE UNIVERSITY OF HONG KONG (HK) 2020-06-04 — — US disclosed
US-9219237-B1 Heteroleptic Ir(III) phosphors with bis-tridentate chelating architecture for high efficiency OLEDs NATIONAL TSING HUA UNIVERSITY (TW) 2015-12-22 — — US disclosed
US-20090102363-A1 METAL COMPLEX COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-04-23 — — US disclosed
US-20090102363-A1 METAL COMPLEX COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-04-23 — — 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 (4 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-12116378-B2 Transition metal luminescent complexes and methods of use OCIAD2, OCIAD1, OPRD1 ALOX5AP 1471/4885ALDH1A1 3474/4885HPGD 1595/4885
US-20200176691-A1 TRANSITION METAL LUMINESCENT COMPLEXES AND METHODS OF USE OCIAD2, OCIAD1, OPRD1 ALOX5AP 1471/4885ALDH1A1 3474/4885HPGD 1595/4885
US-20090102363-A1 METAL COMPLEX COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME EPCAM, L1CAM, EMC2 ALOX5AP 4131/4885ALDH1A1 2772/4885HPGD 4833/4885
US-20200172562-A1 TRANSITION METAL LUMINESCENT COMPLEXES AND METHODS OF USE OCIAD2, OCIAD1, OPRD1 ALOX5AP 1471/4885ALDH1A1 3474/4885HPGD 1595/4885

“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.

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