SCHEMBL6981457

SCHEMBL6981457

CC(C)Cc1c[nH]c2ccc(O)cc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.77
HTR1A P08908 5/20 0.77
HTR2A P28223 5/20 0.77
HTR2B P41595 4/20 0.77
CYP2D6 P10635 4/20 0.77
HTR1D P28221 4/20 0.77
NFKB1 P19838 3/20 0.77
CYP2C9 P11712 3/20 0.77
CYP1A2 P05177 3/20 0.77
HTR1B P28222 2/20 0.77
CYP2C19 P33261 1/20 0.77
NPSR1 Q6W5P4 6/20 0.63
BLM P54132 3/20 0.63
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 4/20 0.62
TSHR P16473 3/20 0.62
SLC6A4 P31645 3/20 0.62
CYP3A4 P08684 3/20 0.62
MAPT P10636 3/20 0.62
LMNA P02545 3/20 0.62

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
SCHEMBL396996 0.87 HTR2C (1.00) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL29389055 0.87 HTR2C (1.00) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL25331243 0.84 HTR2C (0.69) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL14755631 0.84 HTR2C (0.67) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL12563612 0.83 HTR2C (0.68) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL14032315 0.83 HTR2C (0.71) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL12039373 0.83 HTR2C (0.71) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL22538964 0.83 HTR2C (0.76) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL20340879 0.81 HTR2A (0.74) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL19067627 0.81 HTR2A (0.61) HTR2CHTR1AHTR2AHTR2BCYP2D6

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-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 US disclosed
US-7345040-B2 Reverse-turn mimetics and compositions and methods relating thereto MYRIAD GENETICS, INC. (US) 2008-03-18 US disclosed
EP-1268422-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES Bayer Aktiengesellschaft (DE) 2003-01-02 EP disclosed
WO-2001070687-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-27 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 (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-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 HTR2C 4405/4885HTR1A 4442/4885HTR2A 3688/4885

“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.