SCHEMBL8919679

SCHEMBL8919679

CCCCOC1NCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LTA4H P09960 1/20 0.34
MAPT P10636 2/20 0.33
GID4 Q8IVV7 1/20 0.33
HTR2A P28223 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL29532169 0.95 TSHR (0.37) TSHRLTA4HMAPTHTR2ALMNA
SCHEMBL28927087 0.94 ALDH1A1 (0.39) TSHRLTA4HMAPTHTR2ALMNA
SCHEMBL27430584 0.90 ADRA2A (0.36) MAPTALDH1A1
SCHEMBL11308321 0.83 ALDH1A1 (0.37) MAPTLMNAALDH1A1CYP2D6
SCHEMBL30827217 0.83 ALDH1A1 (0.37) MAPTLMNAALDH1A1CYP2D6
SCHEMBL329873 0.80 RET (0.49) TSHRHTR2ALMNACYP1A2CYP2D6
SCHEMBL4766983 0.74 ALDH1A1 (0.40) TSHRMAPTGID4TP53CYP1A2
SCHEMBL12228557 0.72 SIGMAR1 (0.40) TSHRTDP1L3MBTL1LTA4HLMNA
SCHEMBL27620851 0.72 PRCP (0.41) MAPTHTR2AALDH1A1
SCHEMBL11007168 0.72 CYP3A4 (0.42) TSHRLTA4HHTR2ALMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459921-B2 Isoindoline compound, preparation method, pharmaceutical composition and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-11-04 US disclosed
US-20220041576-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-02-10 US disclosed
US-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
US-5559247-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-24 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 (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-12459921-B2 Isoindoline compound, preparation method, pharmaceutical composition and use thereof CUL4B, CUL4A, UBQLN1 TSHR 4463/4885TDP1 3699/4885L3MBTL1 3250/4885
US-20220041576-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF CUL4B, CUL4A, UBQLN1 TSHR 4463/4885TDP1 3699/4885L3MBTL1 3250/4885

“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.