SCHEMBL9826413

SCHEMBL9826413

CC(Cc1ccncc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.52
TP53 P04637 2/20 0.51
TSHR P16473 2/20 0.51
EBP Q15125 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP19A1 P11511 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ACACB O00763 2/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 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
SCHEMBL21394848 0.80 S1PR1 (0.46) TP53TSHRLMNACYP19A1CYP1A2
SCHEMBL270340 0.80 ALDH1A1 (0.62) KIF11TSHRLMNAHTTALDH1A1
SCHEMBL21394315 0.79 CYP3A4 (0.41) LMNAALDH1A1CYP19A1CYP1A2CYP3A4
SCHEMBL9587694 0.77 KIF11 (0.55) KIF11SIGMAR1LMNAHTTALDH1A1
SCHEMBL9296848 0.77 TSHR (0.55) TP53TSHREBPSIGMAR1LMNA
SCHEMBL8323180 0.77 TSHR (0.55) TP53TSHREBPSIGMAR1LMNA
SCHEMBL10667108 0.77 TSHR (0.55) TP53TSHREBPSIGMAR1LMNA
SCHEMBL8678455 0.77 TSHR (0.55) TP53TSHREBPSIGMAR1LMNA
SCHEMBL8840559 0.77 TSHR (0.55) TP53TSHREBPSIGMAR1ACACB
SCHEMBL8967452 0.77 TSHR (0.55) TP53TSHREBPSIGMAR1LMNA

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-20250298383-A1 INTELLIGENT BUILDING MANAGEMENT SYSTEMS SmithGroup Companies, Inc. 2025-09-25 US disclosed
US-12276951-B2 Intelligent building management systems SmithGroup Companies, Inc. (US) 2025-04-15 US disclosed
US-20230364178-A1 Small Molecule Cancer Treatments that Cause Necrosis in Cancer Cells But Do Not Affect Normal Cells UNIV NEW YORK STATE RES FOUND (US) 2023-11-16 US disclosed
US-20220283553-A1 INTELLIGENT BUILDING MANAGEMENT SYSTEMS SmithGroup Companies, Inc. 2022-09-08 US disclosed
CN-111511374-B Carbon dioxide sustained release pack for skin and method for releasing carbon dioxide to skin 三井化学株式会社 2022-05-17 CN disclosed
EP-0440608-A1 ANTIFUNGAL CARBINOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-14 EP disclosed
WO-1989005801-A1 ANTIFUNGAL CARBINOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-29 WO disclosed
EP-0321211-A1 Antifungal carbinols E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-21 EP 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-20230364178-A1 Small Molecule Cancer Treatments that Cause Necrosis in Cancer Cells But Do Not Affect Normal Cells HMGB2, HMGB1, HMGB3 KIF11 3588/4885TP53 10/4885TSHR 4733/4885

“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.